1 ABSTRACT BOOK 6 August, 2020 | Nur-Sultan, Kazakhstan The 8 th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) www.iness.kz The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 2 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 3 Dear Colleagues! We greatly appreciate your participation and valuable contribution to our Conference. We are honored and pleased to welcome you at INESS-2020! The Organizers will put all efforts to make this day at INESS very efficient time to exchange and discuss the ideas, establish and strengthen collaboration in various fields of research. We hope that INESS will serve as an effective platform to establish new opportunities for joint works in science and education for sustainable development and the best future. We will be looking forward to seeing you again. Yours sincerely, On behalf of the Organizers, Prof. Zhumabay Bakenov ORGANIZERS Nazarbayev University Institute of Batteries LLC National Laboratory Astana (NLA) The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 4 ORGANIZING COMMITTEE Position - Name Organization Chairman - Prof. Ilesanmi Adesida Nazarbayev University, Kazakhstan Co-Chairman - Vassilios Tourassis Nazarbayev University, Kazakhstan Co-Chairman - Prof. Zhaxybay Zhumadilov National Laboratory Astana, Kazakhstan Co-Chairman - Prof. Zhumabay Bakenov Institute of Batteries LLP, National Laboratory Astana, Nazarbayev University, Kazakhstan Member - Prof. Almagul Mentbayeva Nazarbayev University, Kazakhstan Member - Dr. Indira Kurmanbayeva NLA, Nazarbayev University, Kazakhstan Member - Dr. Arailym Nurpeissova NLA, Nazarbayev University, Kazakhstan Member - Dr. Berik Uzakbaiuly NLA, Nazarbayev University, Kazakhstan Member - Dr. Aliya Mukanova NLA, Nazarbayev University, Kazakhstan Member - Dr. Gulnur Kalimuldina Nazarbayev University, Kazakhstan Member - Dr. Baktiyar Soltabayev NLA, Nazarbayev University, Kazakhstan Member - Dr. Sandugash Kalybekkyzy NLA, Nazarbayev University, Kazakhstan Member - Mr. Dauren Batyrbekuly NLA, Nazarbayev University, Kazakhstan Member - Mr. Nurbol Tolganbek Nazarbayev University, Kazakhstan Member - Mr. Nurzhan Baikalov NLA, Nazarbayev University, Kazakhstan Member - Mr. Zhainarbek Nurymov L.N. Gumilyov Eurasian National University, Kazakhstan Member - Mr. Orynbay Zhanadilov NLA, Nazarbayev University, Kazakhstan Member - Mrs. Nazym Kassenova NLA, Nazarbayev University, Kazakhstan Member - Ms. Lunara Rakhymbay NLA, Nazarbayev University, Kazakhstan Member - Ms. Yerkezhan Yerkinbekova NLA, Nazarbayev University, Kazakhstan Member - Mrs. Zarina Yelemessova NLA, Nazarbayev University, Kazakhstan Member - Ms. Aiym Mashekova NLA, Nazarbayev University, Kazakhstan Member - Mr. Orynbassar Mukhan NLA, Nazarbayev University, Kazakhstan Member - Mr. Nurbolat Issatayev NLA, Nazarbayev University, Kazakhstan SCIENTIFIC ADVISORY COMMITTEE 1. Chairman – Prof. Sung-Soo Kim, Chungnam National University, Korea 2. Co-Chairman – Dr. Indira Kurmanbayeva, National Laboratory Astana, Kazakhstan 3. Prof. Desmond Adair, Nazarbayev University, Kazakhstan 4. Prof. Zulkhair Mansurov, Al-Farabi Kazakh National University, Kazakhstan 5. Prof. Seung-Taek Myung, Sejong University, Korea 6. Prof. Jean-Pierre Pereira-Ramos, CNRS et Université Paris Est Créteil, France 7. Prof. Annie Ng, Nazarbayev University, Kazakhstan SECRETARIAT OF INESS-2020 Conference Scientific Secretary – Dr. Aishuak Konarov, Nazarbayev University, Kazakhstan The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 5 CONTENT PLENARY INVITED SPEAKERS 1. Sung-Soo Kim, Nurzhan Umirov, Deok-Ho Seo, Hyang-Yeon Kim Novel and pragmatic approach to design silicon alloy anode by equilibrium method 9 2. Maksym Mironov High mobility 2D holes in strained epitaxial germanium quantum well hetero structures 10 3. Fu-Ming Wang Synthesis, characteristics and electrochemical performances of N, N-(p- phenylene) bismaleamate and its fluoro-substitution compound on organic anode materials in lithium-ion battery 11 4. Sigita Trabesinger, Juliette Billaud, David McNulty Morphological peculiarities from lithium plating and stripping 12 5. Hee Jae Kim, Aishuak Konarov, Seung-Taek Myung Controlled oxygen redox for excellent power capability in layered sodium‐based compounds 13 6. Toru Wakihara, Kenta Iyoki, Kakeru Kikumasa, Takako Onishi, Yasuo Yonezawa, Anand Chokkalingam, Tatsuya Okubo Extremely stable zeolites developed via liquid-mediated self- defect-healing 14 7. Yongguang Zhang, Yusen He, Yan Zhao, Zhumabay Bakenov All-purpose electrode design of flexible conductive scaffold toward high-performance Li-S batteries 15 8. Zulkhair Mansurov, Seitkhan Azat, Almagul Kerimkulova Valorization of biomass waste into high efficient materials for CBRN protection 16 9. Sarkyt Kudaibergenov “Quenched” polyampholytes as catalysts and supercapacitors 17 ORAL PRESENTATIONS 10. Desmond Adair, Torybek Kenzhekhanov, Durbek Abduvali, Gulnur Kalimuldina Investigating the Feasibility of Energy Harvesting using Material Work Functions 18 11. Svetlana Mikhailova, Leonid Mikhailov, Guzal Ismailova, Nursultan Kenes, Raiymbek Yersaiyn, Ruslan Mahmutov Smart window design with aerosol trap, greenhouse gardening and powered by solar panels 19 12. Askhat Jumabekov Dynamic chemical passivation of absorber layer trap states and its real- time effect on the device performance in back-contact perovskite solar cells 20 13. Zarina Umatova, A. Jumabekov Fabrication of back-contact solar cells by microsphere lithography 21 14. Sholpan Nauryzbekova, Kair Nussupov, Dina Bakranova Simulation of antireflection coatings system based on DLC/porous Si and TiO2/SiO2 for Si solar cells 22 15. Assanali Sultanov, Kair Nussupov, Nurzhan Beisenkhanov Investigation of SiC based antireflection coating for Si solar cells by numerical FTDT simulations 23 16. Baurzhan Ilyassov, А.К. Aimukhanov, X.S. Rozhkova, А.К. Zeinidenov, N. Nuraje Enhancement of photovoltaic properties of polymer solar cells by modifying a structure of PEDOT:PSS layer 24 17. Olzat Toktarbaiuly, Askar Syrlybekov, Ozhet Mauit Magnetic and electronic properties of PtSe2 thin film 25 18. Oleg Prikhodko, Svetlana Mikhailova, Yerzhan Mukhametkarimov, Suyumbika Maksimova, Kuanysh Dauitkhan, Ulantai Doseke Effect of annealing on the optical properties of TiO2 films 26 19. Almaz Beisenbayev, Askhat Jumabekov Silver nanowires mesh electrode for metal- semiconductor-metal perovskite solar devices 27 20. Nuriya Abdyldayeva, Nurzhan Beisenkhanov ZnO-ITO multilayered structure on Si substrate with prospective usage as antireflective covering for solar cells 28 21. Niyazbek Ibrayev, Evgeniya Seliverstova, Gulden Omarova Sensitization of TiO2 by merocyanine dye in the presence of plasmon nanoparticles 29 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 6 22. Yevgenya Kedruk, L.V. Gritsenko, Kh.A. Abdullin, G. Cicero Effect of copper sulfate concentration in growth solution on photocatalytic properties of ZnO/CuO nanostructures 30 23. Askar Maxim, Damir Aidarkhanov, Timur Sh. Atabaev, Askhat N. Jumabekov, Annie Ng Light management in perovskite solar cell by incorporation of carbon quantum dots 31 24. Yerzhan Mukhametkarimov, Svetlana Mikhailova, Oleg Prikhodko, Kuanysh Dauitkhan, Darya Puzikova, Ulantai Doseke Ag:TiO2 plasmonic nanocomposite films obtained by RF magnetron co-sputtering 32 25. Damir Aidarkhanov, Zhiwei Ren, Chang-Keun Lim, Zhuldyz Yelzhanova, Gaukhar Nigmetova, Bakhytzhan Baptayev, Mannix Balanay, Charles Surya, Paras N. Prasad, Annie Ng Bulk and interfacial defect passivation for high performance perovskite solar cells 33 26. Nurxat Nuraje Advanced functional nanomaterials for photocatalytic water splitting 34 27. Alexandr Zibert, Ilya Korolkov Synthesis and modification of gadolinium ferrite nanoparticles for potential application in neutron capture therapy 35 28. Dmitriy Afanasyev, Niazbek Ibrayev, Dias Toleutay Enhancing of charge transfer efficiency from a perovskite CH3NH3PbI3 film in a layer of titanium dioxide in the presence of Ag/SiO2 nanoparticles 36 29. Mirat Karibayev, Hongxia Zhao, Almagul Mentbayeva, Yanwei Wang Free energy of metal ion binding to some functional groups of concrete admixtures in water 37 30. Kydyr Askaruly, Seitkhan Azat, Zhantikeyev Ulan, Mukhtar Yeleuov Amorphous silicon dioxide as an anode material for li-ion batteries 38 31. Nurzhan Baikalov, Nurassyl Serik, Sandugash Kalybekkyzy, Indira Kurmanbayeva, Zhumabay Bakenov, Almagul Mentbayeva High mass-loading sulfur-composite cathode for lithium- sulfur batteries 39 32. Zhainarbek Nurymov, Zarina Yelemessova, Kulzhan Beisembayeva, Arailym Nurpeissova, Gulnur Kalimuldina, Zhumabay Bakenov Methods of producing a polymer electrolyte on the surface of a 3D structure for lithium-ion batteries 40 33 Yerkezhan Yerkinbekova, Sandugash Kalybekkyzy, Almagul Mentbayeva, Nurzhan Baikalov, Memet Vezir Kahraman, Zhumabay Bakenov Electrospun 3D structured carbon current collector for Li/S batteries 41 34 Dauren Batyrbekuly, Sabrina Cajoly, Barbara Laïk, Jean-Pierre Pereira-Ramos, Nicolas Emery, Zhumabay Bakenov, Rita Baddour-Hadjean Mechanistic investigation on hybrid Zn/V2O5 rechargeable battery using a binary Li+/Zn2+aqueous electrolyte 42 35 Nurbol Tolganbek, Almagul Mentbayeva, Kiyoshi Kanamura, Zhumabay Bakenov The performance comparison of Li1.3Al0.3Ti1.7 (PO4)3 solid electrolyte via various synthesizing methods 43 36 Lunara Rakhymbay, Indira Kurmanbayeva, Zhumabay Bakenov Additives to suppress dendrite formation on Zn anode of rechargeable aqueous battery 44 POSTER SESSION 37. Aliya Mukanova, Orynbassar Mukhan, Maksym Myronov, Zhumabay Bakenov Thermal conductivity of Si thin films through time-domain thermoreflectance measurements 45 38. Yongguang Zhang, Jiayi Wang, Xin Wang Hierarchical Defective Fe3-xC@C Hollow Microsphere Impulses Fast and Long-lasting Lithium-Sulfur Batteries 46 39. Nazym Kassenova, Sandugash Kalybekkyzy, Memet Vezir Kahraman, Zhumabay Bakenov, Almagul Mentbayeva Fabrication and characterization of electrospun PVA/PVA- MA/TEOS based gel polymer electrolyte for Lithium-ion batteries 47 40. Anastassiya Mashentseva, Tomiris Khassen, Ainash Zhumazhanova, Dmitriy Zheltov, Alyona Russakova, Saniya Rakisheva, Liliya Altynbayeva, Nurgulim Aimanova Adsorption arsenite from aqueous solutions by Cu/CuO loaded composite track-etched membranes 48 41. M.S. Batalova, B.E. Alpysbayeva, N.E. Korobova Analysis of the dependence of the structural parameters of membranes based on NOA and anode current on the parameters of the production process 49 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 7 42. Nurbolat Issatayev, Arailym Nurpeissova, Gulnur Kalimuldina, Zhumabay Bakenov The effect of chemical activating agents on the morphology and structure of bio-derived activated carbon 50 43. Aiym Mashekova, Arailym Nurpeissova, Zhumabay Bakenov, Aliya Mukanova Study of the lithium-ion battery at low temperatures 51 44. Aiym Mashekova, Zhumabay Bakenov, Aliya Mukanova Study of a solid-state electrolyte for lithium-ion battery 52 45. Nursultan Turdakyn, Alisher Medeubayev, Ingkar Abay, Desmond Adair, Gulnur Kalimuldina Preparation of a Piezoelectric PVDF Sensor via Electrospinning 53 46. Anastassiya Vetrova, Dmitriy Khrustalev, Azamat Yedrissov, Anastassiya Khrustaleva Synthesis of 4,7-dibromo-9H-carbazole and its N-alkylation under Microwave Activation Conditions in a Flow-type Microwave Reactor 54 47. G.S. Amirbekova, B.E. Alpysbayeva, E. Erlanuly, M. T. Gabdullin, V.Y. Smirnov Etching the surface of aluminum foil using high-frequency plasma to produce a nanoporous aluminum oxide membrane 55 48. Meruyert Kadir, Balaussa Alpysbayeva, Vladimir Smirnov Surface morphology analysis of copper films produced by anodizing process 56 49. Rustam Shlyapov, Aitolkyn Uali, Shamshiya Amerkhanova Prospects of application of iron- containing carbon-paste electrode in electrochemical analysis 57 50. Iskakov Bakhtiyar, Altayqyzy Marzhan, Tautayev Yernar, Ongarova Shynar, Karmenov Kanat Photocell modernization 58 51. Renata Nemkayeva, Nazim Guseinov, Gulzhan Baigarinova, Madi Aitzhanov,Yerzhan Mukhametkarimov Thickness-Dependent Raman and Photoluminescence Spectra of 2D Indium Selenide 59 52. Darya Puzikova, Margarita Dergacheva, Gulinur Khussurova, Xeniya Leontyeva Semiconductor film CuBi2O4, modified Pt 60 53. T.Kh. Sadykov, V.V. Zhukov, B.A. Iskakov, I.S. Nevmerzhitskiy, A.S. Serikkanov, О.А. Novolodskaya, Y.М. Tautayev Solar cell research at an altitude of 3340 meters above sea level 61 54. Baktiyar Soltabayev, Almagul Mentbayeva, Ali Orkun Çağırtekin, Selim Acar Enhanced gas sensing properties of IZO thin films using SILAR 62 55. Kundyz Turmanova, Oleg Prikhodko, Guzal Ismailova, Alibek Zhakypov, Suyumbika Maksimova, Zhandos Tolepov Effect of Ag impurity on the optical properties of GST225 thin films 63 56. Alibek Zhakypov, Suyumbika Maksimova, Oleg Prikhodko, Guzal Ismailova, Kundyz Turmanova, Zhandos Tolepov Effective penetration depth of optical radiation in nanoscaled modified Ge2Sb2Te5 films 64 57. Anastassia Khrustaleva, Azamat Yedrissov, Anastassiya Vetrova, Dmitriy Khrustalev The green method for recycling polylactic acid made products under ultrasonication conditions 65 58. Azamat Yedrissov, Dmitriy Khrustalev, Anastassiya Khrustaleva, Anastassiya Vetrova New composite material for both biodegradable electronics and soft biomedical electronics 66 59. Saule Issayeva, Anar Kabylda, Yingqiu Xie, Haiyan Fan Synthesis of nitrogen-doped zinc oxide nanostructures and their application in antibacterial activity against e.coli, lactis, aerogenes, s.marcescens 67 60. Dmitriy Khrustalev, Azamat Yedrissov, Anastassiya Vetrova, Anastassiya Khrustaleva Green method of preparation for phenol formaldehyde foams under microwave irradiation 68 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 8 61. Dana Ainakulova, Samal Rakhmatulla, Mirat Karibayev, Almagul Mentbayeva, Yanwei Wang Polymer physics and modeling of polycarboxylate-based superplasticizers 69 62. Kuanysh Samarkhanov, Mendykhan Khasenov, Yuriy Gordienko, Yuriy Ponkratov, Vadim Bochkov, Yevgeniy Tulubayev Sputtering of alkali metals into a gas medium upon excitation by products of nuclear reaction 6Li(n,α)3H 70 63. Kuanysh Samarkhanov, Yuriy Gordienko, Yuriy Ponkratov, Vadim Bochkov, Yevgeniy Tulubayev Results of thermal stability tests of the IGR reactor HEU fuel 71 64. Shyryn Nurbolat, Zharkyn Zhumakhanov, Zhanar Kalkozova, Khabibulla Abdullin ZnO-CoO nanopowders for asymmetric supercapacitors 72 65. Orynbassar Mukhan, Arailym Nurpeissova, Zhumabay Bakenov Conformal coating of LTO/PAN for high performance Si nano-composite anodes 73 66. Y.Y. Kedruk, N. Alpysbaiuly, L.V. Gritsenko, Kh.A. Abdullin Hydrothermal low-cost synthesis of ZnO-GO nanocomposites 74 67. Orynbay Zhanadilov, Almagul Mentbayeva, Zhanna Beisbayeva, Magzhan Amze, Zhumabay Bakenov Composite PAAm-based hydrogel electrolyte for hybrid aqueous (Zn-Li-ion) battery 75 68. K.K. Dikhanbayev, Ye. Shabdan, Ye. Sagidolda, Sh. B. Bayganatova, G. K. Mussabek, Sh.A.Zhumatova Silicon solar cells textured using gold of induced etching 76 69. Bolat Zhadyra, Temesheva Symbat, Baydeldinov Uakaskan Wireless power transmission technology 77 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 9 Novel and Pragmatic Approach to Design Silicon Alloy Anode by Equilibrium Method Nurzhan Umirov1, Deok-Ho Seo1, Hyang-Yeon Kim2 and Sung-Soo Kim1,** 1 Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134, Republic of Korea. 2 Korea Institute of Industrial Technology, 6 Cheomdan-gwagiro 208, Buk-gu, Gwangju 61012, Republic of Korea. **E-mail: kimss@cnu.ac.kr Silicon is honored as one of the most promising anode materials for Lithium-ion Batteries (LIBs) because of its high theoretical specific capacity (4200 mAh/g) compared to commercially available graphite anodes (370 mAh/g). Over 20 years, Si has been intensively investigated due to considerable volume expansion of up to 300% upon electrochemical lithiation, leading to electrode cracking and rapid capacity fading. Numerous strategies have been reported with excellent cycle performances in lab-scale [1]. However, up today, many material manufacturers and start-up companies failed to scale-up those technologies for mass-production, in particular, due to the lack of reproducibility, economical feasibility, etc. Herein, we demonstrate a novel and pragmatic approach for the mass-producible synthesis of Si-alloys with homogeneous microstructure and improved electrochemical performances. Namely, we have designed and optimized amorphous phase Si-alloy composition using reliable and mass-producible melt-spinning process (Fig.1). Further, amorphous alloy is subjected to the thermal annealing process to size-controllable re- crystallization and homogeneous growth of nano-Si grains in inactive matrix. As a result of breakthrough strategy the Si-alloy electrode delivered a high specific capacity of 900 mAh/g for 100 cycles at 0.1 A/g with nearly 99% capacity retention [2]. Fig. 1. Schematic illustration of Si-alloy fabrication process [2]. Acknowledgment This work was supported by the Korea Institute of Energy Technology Evaluation and Planning (KETEP) funded by the Ministry of Trade, Industry & Energy (MOTIE) of the Republic of Korea (Grant No. 20164010201070). References [1] A. Mukanova, A. Jetybayeva, S.T. Myung, S.S. Kim, & Z. Bakenov. Materials Today Energy (2018), 9, 49-66. [2] N. Umirov, D.-H. Seo, H.-Y. Kim and S.-S. Kim. ACS Applied Materials & Interfaces (2020). The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 10 High mobility 2D holes in strained epitaxial Germanium quantum well heterostructures Maksym Myronov Department of Physics, The University of Warwick, Coventry CV4 7AL, UK E-mail: M.Myronov@warwick.ac.uk Carrier mobility is one of the most important parameters of any semiconductor material, determining its suitability for applications in a large variety of electronic devices including field effect transistors (FETs). Bulk or 3D, Germanium (Ge), with its very high intrinsic hole and electron mobilities of 1900 and 3900 cm2V- 1s-1 at room temperature, respectively, is the most promising candidate material to replace Si channels in future complementary metal oxide semiconductor (CMOS) devices. When one or more of the dimensions of a solid are reduced sufficiently to nanometer range, its physicochemical characteristics notably depart from those of the bulk solid. With reduction in size, novel electrical, mechanical, chemical, magnetic, and optical properties can be introduced. The resulting structure is then called a low-dimensional structure or system. Biaxial compressive strain in nm scale thick Ge epilayer narrows its band gap and causes the appearance of a quantum well (QW) in the valence band. Holes confined in the strained Ge QW form a two- dimensional hole gas (2DHG) and have an increased mobility due both to their lower effective mass and reduced scattering factors in this material system. During the recent years a major breakthrough have been achieved in enhancement of carrier mobility in strained epitaxial Ge grown on a standard Si(001) substrate. Extremely high room- and low-temperature 2DHG mobilities of up to 4,500 cm2V-1s-1 [1] and 1,500,000 cm2V-1s-1 [2], respectively, have been demonstrated. These hole mobilities are the highest not only among the group-IV Si, SiGe, Ge, SiC and Diamond semiconductors, but also among p-type III–V, II–VI and emerging 2D materials. Appearance of so high 2DHG mobility in strained epitaxial Ge has already led to demonstration, for the first time, of various quantum phenomena and unique properties in it. They include strong Rashba SO interaction [3], fractional quantum Hall effect [4], Terahertz quantum Hall effect [2], quantum ballistic transport [5], self-organised fractional quantisation [6], electronic transport anisotropy [7], ballistic holes with strong g‑factor anisotropy [8] and 2DHG with very low effective mass of 0.035m0 [7]. The obtained effective mass is not only the lowest for holes among all known semiconductor materials, but also lower than electron effective mass in GaAs. Without any doubts, epitaxial strained Ge material will be an excellent platform for scientists and engineers to discover new quantum phenomena and applications. References [1] M. Myronov, C. Morrison, J. Halpin, S. Rhead, J. Foronda, and D. Leadley, Solid-State Electron. 110, 35 (2015). [2] M. Failla et al., New Journal of Physics 18, 113036 (2016). [3] C. Morrison, J. Foronda, P. Wiśniewski, S. D. Rhead, D. R. Leadley, and M. Myronov, Thin Solid Films 602, 84 (2016). [4] Q. Shi, M. A. Zudov, C. Morrison, and M. Myronov, Phys. Rev. B 91, 241303 (2015). [5] Y. Gul, S. N. Holmes, P. J. Newton, D. J. P. Ellis, C. Morrison, M. Pepper, C. H. W. Barnes, and M. Myronov, Appl. Phys. Lett. 111, 233512 (2017). [6] Y. Gul, S. N. Holmes, M. Myronov, S. Kumar, and M. Pepper, Journal of Physics: Condensed Matter 30, 09LT01 (2018). [7] C. Morrison and M. Myronov, Appl. Phys. Lett. 111, 192103 (2017). [8] R. Mizokuchi, R. Maurand, F. Vigneau, M. Myronov, and S. De Franceschi, Nano Lett. 18, 4861 (2018). mailto:M.Myronov@warwick.ac.uk The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 11 Synthesis, characteristics and electrochemical performances of N, N-(p-phenylene) bismaleamate and its fluoro-substitution compound on organic anode materials in lithium-ion battery Fu-Ming Wang* Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, Taipei, Taiwan *E-mail: mccabe@ntsut.edu.tw Traditional lithium ion battery composes lithium transition metal oxide as a cathode and graphite as an anode. Due to the global warming and the increment of electric vehicle marketing, the reduced-carbon policy and the requirement of high energy density, several techniques have been studied in order to replace the graphite such as metalloid and organic compounds. However, metalloid suffers tremendous problems when alloys with lithium ions, including the huge volume expansion and the electrochemical irreversibility. The organic compounds also present some drawbacks such as low electronic conductivity and low thermal stability, respectively. In this research, the bismaleamate and its fluoro-substitution polymer have been synthesized and studied in order to prevent above problems. The calculation and electrochemical performance show that the fluoro-substitution on bismaleamate significantly decreases the energy band gap around 0.02 eV and provides 430.0 mAh g-1 after 350 cycles. The c-rate performance improves with the low energy band gap when operates at 10C/ 10C (190 mAh g-1). The Brunauer-Emmett-Teller analysis shows that the fluoro-substitution bismaleamate has four times higher of surface area and ten times bigger of pore size compares with the bare bismaleamate. The fluoro-substitution incurs the obvious three-dimensional steric effect and unsymmetrical structure, which is able to provide the excellent ionic transfer. The X-ray photoelectron spectroscopy shows the weak electron-withdrawing effect on fluoro-substitution dramatically inhibits the formation of solid electrolyte interphase (SEI) and delivers an interesting reaction mechanism for its structure rearrangement. Operando X-ray diffraction pattern confirms the changes of crystal phase of bismaleamate and its fluoro- substitution. New organic anode material, bismaleamates have excellent performances concerning the capacity, c-rate, and cycle life, which are eligible for enabling high potential applications in lithium-ion and beyond- lithium secondary batteries. Acknowledgement The author is grateful for the financial support from the Ministry of Science and Technology (MOST) of Taiwan, R.O.C., under grant numbers 107-2119-M-002-033, 107-2811-E-011-505, 107-2923-E-007-001, 107- 2911-E-011-503, 108-2221-E-011-111, 108-2811-E-011-511-, 108-3116-F-011-004, and 108-2923-E-007- 001. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 12 Morphological Peculiarities from Lithium Plating and Stripping Juliette Billaud, David McNulty, Sigita Trabesinger* Battery Electrodes and Cells, Electrochemistry Laboratory, Paul Scherrer Institute Forschungsstrasse 111, 5232 Villigen PSI, Switzerland *E-mail: sigita.trabesinger@psi.ch Enabling metallic-Li negative electrodes is motivated by a significant increase of energy density, both gravimetric and volumetric (Fig. 1), despite the excess of metallic Li accounted to ensure a stable potential. The projected gain in energy density for post-Li-ion batteries with metallic Li is twice than that possible to achieve with graphite, whereas with current and potential positive electrodes of Li-ion batteries it is about 30 % [1]. However, Li-metal as an anode is prone to dendritic growth and, therefore, is considered an unsafe option. It has been under investigation since early 1970s and the interest declined with the invention of Li-ion battery technology, which was considered safer alternative. However, recently interest in the metallic Li has been again on a sharp rise [2]. There is still insufficient fundamental understanding about the fundamental principles, governing electrochemical lithium plating/stripping, which often results in dendrite growth, electrolyte consumption, other undesired effects. [3] The present study aims to gain a comprehensive fundamental understanding of metallic-Li behaviour upon plating/stripping. As a first step, we performed post-mortem SEM analysis during the first two cycles in various electrolytes, in addition to studying the cycling performance in Li–Cu and symmetric Li–Li cells. Our post-mortem SEM study revealed that Li plates sporadically, where some of the regions are preferred for plating, despite ‘dead’ Li agglomeration on those particular spots, while the other regions are free of Li deposits (Fig. 2). The most interesting morphological changes are obtained during the initial stages of stripping and plating. References [1] E.J. Berg, C. Villevieille, D. Streich, S. Trabesinger, P. Novák, J. Electrochem. Soc., 162 (2015) A2468-75. [2] C. Fang, X. Wang, Y.S. Meng, Trends in Chemistry, 1 (2019) 152-8. [3] K.N. Wood, M. Noked, N.P. Dasgupta, ACS Energy Letters, 2 (2017) 664-72. Figure 1. Gravimetric and volumetric energy densities of various positive electrodes paired with negative electrodes [1]. Energy density vs metallic Li electrode is denoted in bordeaux. Figure 2. Li deposits after two platings and one stripping in-between them. The red ellipse highlights an area where ‘dead’ Li surrounds empty space, where previously active Li has been. mailto:sigita.trabesinger@psi.ch The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 13 Controlled Oxygen Redox for Excellent Power Capability in Layered Sodium‐Based Compounds Hee Jae Kim*, Aishuak Konarov, Seung-Taek Myung** 1Department of Nano Technology and Advanced Materials Engineering & Sejong Battery Institute, Sejong University, Gunja-dong, Gwangjin-gu, Seoul 05006, South Korea *E-mail: plzokz@sju.ac.kr **E-mail: smyung@sejong.ac.kr Recently, anionic oxygen redox (O2−/1−) become a main research subject for realizing high power capability [1]. Unfortunately, although the delivered capacity obtained from the transition-metal redox and oxygen redox is one of highest among sodium cathodes, the system suffers from not only serious capacity fading but also poor rate capability because of the sluggish kinetics of the oxygen redox [2]. To come up with this drawback, cobalt substitution in layered sodium-based compounds is conducted to achieve a high-rate of oxygen redox. The rationally designed Na0.6[Mg0.2Mn0.6Co0.2]O2 exhibits outstanding electrode performance, delivering a discharge capacity of 214 mAh g−1 (26 mA g−1) with capacity retention of 87% after 100 cycles. High rate performance is also achieved at 7C (1.82 A g−1) with a capacity of 107 mAh g−1. Surprisingly, the Na0.6[Mg0.2Mn0.6Co0.2]O2 compound is able to deliver capacity for 1000 cycles at 5C (at 1.3 A g−1), retaining 72% of its initial capacity of 108 mAh g−1. X-ray absorption spectroscopy analysis of the O K-edge indicates the oxygen-redox species (O2−/1−) is active during cycling. First-principles calculations show that the addition of Co reduces the bandgap energy from ≈2.65 to ≈0.61 eV and that overlapping of the Co 3d and O 2p orbitals facilitates facile electron transfer [3], enabling the long-term reversibility of the oxygen redox, even at high rates. To the best of the authors’ knowledge, this is the first report on high-rate oxygen redox in sodium-based cathode materials, and it is believed that the findings will open a new pathway for the use of oxygen-redox- based materials for sodium-ion batteries. Acknowledgement This research was supported by the International Research & Development Program of the National Research Foundation of Korea (NRF) funded by the Ministry of Science and ICT of Korea (NRF- 2017K1A3A1A30084795, NRF-2015M3D1A1069713, and NRF-2017R1A2A2A05069634). References [1] H. Xu, S. Guo, H. Zhou, J. Mater. Chem. A 7 (2019) 23662–23678. [2] U. Maitra, R. A. House, J. W. Somerville, N. Tapia-Ruiz, J. G. Lozano, N. Guerrini, R. Hao, K. Luo, L. Jin, M. A. Perez-Osorio, F. Massel, D. M. Pickup, S. Ramos, X. Lu, D. E. McNally, A. V. Chadwick, F. Giustino, T. Schmitt, L. C. Duda, M. R. Roberts, P. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 14 Extremely stable zeolites developed via liquid-mediated self-defect-healing Kenta Iyoki, Kakeru Kikumasa, Takako Onishi, Yasuo Yonezawa, Anand Chokkalingam, Tatsuya Okubo, and Toru Wakihara* Department of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan E-mail: wakihara@chemsys.t.u-tokyo.ac.jp The successful application of zeolites in diverse fields largely relies on their high stability compared with other porous materials. However, the property requirements for zeolites have become stringent due to their diverse and demanding applications. Aluminosilicate zeolites are utilized for adsorptive and catalytic applications, wherein they are sometimes exposed to high-temperature steaming conditions (~1000 °C). Zeolites are exposed to severe steaming conditions in regenerators to remove coke, and over 400,000 t/y of catalysts are discarded due to degradation during the FCC process [1]. Recently, zeolites have been used in exhaust gas treatment processes, such as the selective catalytic reduction of NOx, catalytic oxidation for diesel engines, and hydrocarbon trapping [2], wherein they degrade due to interactions with high-temperature (>800 °C) steam. In automotive applications, degradation is often severe because zeolites are continuously exposed to steam without replacement. Therefore, the development of highly stable zeolites has become an important issue. As the degradation of high-silica zeolites originates from the defect sites in their frameworks, feasible defect-healing methods are highly demanded. Herein, we propose a method for healing defects to create extremely stable high-silica zeolites. High-silica (SiO2/Al2O3 > 240) zeolites with *BEA-, MFI-, and MOR- type topologies could be stabilized by significantly reducing the defect sites via a liquid-mediated treatment without using additional silylating agents. Upon exposure to extremely high-temperature (900–1150 °C) steam, the stabilized zeolites retain their crystallinity and micropore volume, whereas the parent commercial zeolites degrade completely (Figure 1). The proposed self-defect-healing method provides new insights into the migration of species through porous bodies and significantly advances the practical applicability of zeolites in severe environments. Figure 1 XRD patterns of MFI-type zeolite after 1150 °C steaming for 3 hours. Reference [1] H. S. Cerqueira, et al., J. Mol. Catal. A: Chem. 292, (2008) 1–13. [2] A. M. Beale, et al., Chem. Soc. Rev. 44, (2015) 7371–7405. In te n s it y ( a .u .) 40302010 2 theta / degree 10 20 30 40 In te n s it y [a .u .] Treated Parent The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 15 All-Purpose Electrode Design of Flexible Conductive Scaffold toward High-Permanence Li-S Batteries Yongguang Zhang1*, Yusen He1, Yan Zhao1, Zhumabay Bakenov2 1 School of Materials Science and Engineering, Hebei University of Technology, China 2 Institute of Batteries LLC, School of Engineering and Digital Sciences, National Laboratory Astana Nazarbayev University, Kazakhstan *E-mail: yongguangzhang@hebut.edu.cn The main obstacles that hinder the development of efficient lithium sulfur (Li-S) battery are the polysulfide shuttling effect in sulfur cathode and the uncontrollable growth of dendritic Li in the anode. Herein, we report an all-purpose flexible electrode that can be served both in sulfur cathode and Li metal anode, and meanwhile the application in wearable and portable storage electronic devices is discussed. The flexible electrode consists of a bimetallic CoNi nanoparticles embedded porous conductive scaffold with multiple Co/Ni-N active sites (CoNi@PNCFs). Both experimental and theoretical analysis show that, when used as the cathode, the CoNi and Co/Ni-N active sites implanted on the porous CoNi@PNCFs significantly promot the chemical immobilization towards soluble lithium polysulfides and its rapid conversion into insoluble Li2S, and therefore effectively mitigates polysulfide shuttling effect. Meanwhile, the 3D matrix constructed with porous carbonous skeleton and multiple active centers successfully induce homogenous Li growth, realizing a dendrite-free Li metal anode. The Li-S battery, assembled with S/CoNi@PNCFs cathode and Li/CoNi@PNCFs anode, achieve a high reversible specific capacity of 785 mAh g-1 and long cycle performance at 5 C (capacity fading rate of 0.016 % over 1500 cycles). The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 16 Valorization of biomass waste into high efficient materials for CBRN protection Zulkhair Mansurov1,2*, Seitkhan Azat1,2,3**, Almagul Kerimkulova1,2 1Institute of Combustion Problems, Almaty, Kazakhstan 2al-Farabi Kazakh National University, Almaty, Kazakhstan 3Satbayev University, Almaty, Kazakhstan *E-mail: zmansurov@kaznu.kz **E-mail: seytkhan.azat@gmail.com Nowadays, the cleaning of aspiration and ventilation emissions from harmful substances is one of the main air protection measures for most of the industrial enterprises. The specific feature of most of the industrial emissions refers to the content of a large number of harmful gaseous components in addition to solid and liquid particles (dusts, gases, mists) [1]. The cleaning of the gas flows from such contaminants requires corresponding knowledge of the theory to develop gas purification methods. The adsorption method becomes more and more valuable among other known methods of industrial emissions cleaning as it allows almost complete removal of the contaminations of the gas flows. Many countries (Russia, USA, China, etc.) study intensively the problem of air cleaning. The scientists from the Institute on Combustion Problems perform studies [2-3] connected with the manufacture of modified carbon adsorbents for medical applications, waste waters cleaning from heavy metals ions, biomolecules division, etc. But the elaboration of carbon sorbents for toxic gases sorption has not been studied so far. This omission is treated in the present communication. This work is dedicated to the development of a method for the manufacture of modified carbon sorbents made for absorption of organic and inorganic vapors. The microstructure analysis of the samples reveals that the activation promotes the formation of a higher number of small pores and the development of a spongy texture of the sorbents leading to carbon content increase when compared to that of the initial sample. The final samples have apparent mesoporous confirmed by the form of the isotherms referring to the low-temperature adsorption of nitrogen and the results of pore size distribution using the DFT method. Acknowledgement This research was supported by G5636 SPS NATO Project «Valorization of biomass waste into high efficient materials for CBRN protection». References [1] Lodewyckx, P. et.al. (2019).. Eurasian Chem-Tech, 21, 193-201. [2] Almagul R.Kerimkulova et.al. Chem Tech and Metallurgy,54,3,2019, 578-584. [3] Mansurov Z.A.et.al. Eurasian chemico-tecnological journal. 2013, 15(3). 209-217. mailto:zmansurov@kaznu.kz mailto:seytkhan.azat@gmail.com The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 17 “Quenched” Polyampholytes as Catalysts and Supercapacitors Sarkyt Kudaibergenov 1,2* 1 Satbayev University, Laboratory of Engineering Profile, Almaty, 050013, Satpayev Str. 22, Republic of Kazakhstan 2 Institute of Polymer Materials and Technology, Almaty, 050019, Microregion “Atyrau 1”, Bld. 3/1, Republic of Kazakhstan E-mail: skudai@mail.ru The “quenched” or strongly charged polyampholytes represent amphoteric macromolecules consisting of static positive and negative charges [1,2]. The volume-phase, swelling-deswelling, self-healing, viscoelastic, and mechanical properties of „quenched” polyampholyte gels are discussed in aqueous-salt solutions together with their stimuli-responsive character [3]. Application aspects of „quenched” polyampholytes cover biotechnology, biomedicine, oil recovery, desalination, catalysis and supercapacitors [4,5]. Understanding of the fundamental relationships between the microstructure and property of crosslinked amphoteric macromolecules will open renewed interest to polyampholytes in whole and „quenched” polyampholytes in particular. Acknowledgements Financial support from the Ministry of Education and Science of the Republic of Kazakhstan (Grant No. IRN AP05131003, 2018-2020) is greatly acknowledged. References [1] Kudaibergenov S.E. Polyampholytes: Synthesis, Characterization and Application. New York: Kluwer Academic/Plenum Publishers. 2002, 220 p. [2] Fouillet C.C., Greaves T.L., Quinn J.F., Davis T.P., Adamcik J., Sani M-A., Separovic F., Drummond C.J., Mezzenga R. Copolyampholytes produced from RAFT polymerization of protic ionic liquids. Macromolecules, 2017. Doi: 10.1021/acs.macromol.7b01768. [3] Toleutay G., Su E., Kudaibergenov S., Okay, O. Highly stretchable and thermally healable polyampholyte hydrogels via hydrophobic modification. Colloid Polym. Sci. 2020, 298, 273-284. [4] Li. X., Dong F., Zhang L., Xu Q., Zhu X., Liang S., Hu L., Xie H. Cellulosic protic ionic liquid hydrogel: A green and efficient catalyst carrier for Pd nanoparticles in redcution of 4-nitrophenol in water. Chem. Eng. J. 2019, 372, 516-525. [5] Li X., Wang X., Ok Y.S., Elliott J.A.W., Chang S.X., Chung H-J. Flexible and self-healing aqueous supercapacitors for low temperature applications: Polyampholyte gel electrolytes with biochar electrodes. Sci. Rep. 2017, 7, 1685. Doi: 10.1038/s41598-017-01873-3. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 18 Investigating the Feasibility of Energy Harvesting using Material Work Functions Torybek Kenzhekhanov, Durbek Abduvali, Gulnur Kalimuldina, Desmond Adair* Mechanical & Aerospace, Nazarbayev University, Nur-Sultan, 010000, Republic of Kazakhstan *E-mail: dadair@nu.edu.kz There is an on-going search for miniaturized efficient energy harvesting devices which will capture energy from the environment and transform and supply enough electrical power for the autonomous operation of small low power-demand electronic devices [1]. The concept of energy harvesting is especially attractive as it could be applied when battery replacement is difficult or when recharging in a conventional sense may prove to be not cost effective. Also this concept could be used successfully when continuous operation without maintenance is required. Electronic devices, with low power demand, can be energized using vibration energy harvesters which gather and transform energy from mechanical vibrations. This investigation looks at the feasibility of a method of energy harvesting from mechanical vibrations using the naturally occurring charging phenomenon within a system of two bodies which possess different work functions. A work function is defined as the minimum thermodynamic work (i.e. energy) needed to remove an electron from a solid to a point in the vacuum immediately outside the solid surface. A work function is not a characteristic of the bulk material but rather is a property of the surface of the material and depends on the material crystal face and presence of contaminants. The critical difference between a work function energy harvester (WFEH) and the electrostatic energy harvester is that the former does not require any electrets (dielectric materials that has a quasi-permanent electric charge or dipole polarisation) or external power sources. In this work, a brief review of similar technologies, namely piezoelectric, electromagnetic and electrostatic energy harvesters is first given. This is followed by the development of a theoretical model and an investigation of different WFEH operation modes and miniaturization of a WFEH, with conclusions on a possible optimum mode of operation and method of miniaturization. The design of an experiment to test the developed theory is then presented followed by some preliminary results. Generally it is found that WFEH has potential for use in energy harvesting applications with the possibility of giving equal or better output power when compared to traditional electrostatic harvesters. References [1] B.E. White Jr, Nat. Nanotechnol. 3 (2008) 71-72 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 19 Smart window design with aerosol trap, greenhouse gardening and powered by solar panels Svetlana Mikhailova*, Leonid Mikhailov**, Guzal Ismailova, Nursultan Kenes, Raiymbek Yersaiyn, Ruslan Mahmutov IETP, al-Farabi Kazakh National University, 71 al-Farabi avn. 050040 Almaty, Kazakhstan *E-mail: svetik.mikhailova@gmail.com **E-mail: deonid@mail.ru Photovoltaic panels usage in urban conditions only for energy production is unprofitable, since energy from traditional energy sources is much cheaper and the infrastructure for transporting energy to consumers in cities has already been formed. Fundamental difference between the proposed device in social and economic terms is that the individual consumer is offered not energy from the power plant, but a household device with a combination of LED illuminator with and sunlight-regulating external blinds [1, 2]. Along the way, it will help to solve global human problems of ecology, by cleaning the air from smog, contaminated aerosols and using "green" energy. Even when the solar panel is not lit, it can act as a dust and aerosol collector, a heat and light screen for the room. The aim of this development is usage of solar energy in windowed household systems for the following consumer functions: 1) night and regulated daytime room lighting; 2) for cleaning the air basin of the city from smog and aerosols; 3) for additional heat and sound insulation. Relevance of the study is also associated with measures to reduce greenhouse gas emissions through the use of alternative sources and helps to solve the problem of their cost-effective use. A working designed model was created being scaled down 1:5, where consumer functions are tested and refined after modeling in AutoCAD. A device based on solar panels provides the combination of several consumer properties and a combination of three stand-alone modules placed on a single metal structure, fixed in the aperture and on the window frame. The model has five static and three dynamic modes of operation. Electromechanical and photoelectric part of the prototype device was manufactured and the study of the technical characteristics was carried out. Note that power calculations were performed for the full-scale prototype version. A full-size model of the device was made on the window at Faculty of Physics and Technology of al-Farabi KazNU. Acknowledgement This research was supported by the grant AP05132897 of the Ministry of Education and Science of Kazakhstan Republic References [1] L.Mikhailov, S. Mikhailova, G. Ismailova et al. - Mediterranean Green Buildings & Renewable Energy. (2017) 609 – 617. [2] L.V. Mikhailov, A.M. Sidlyarov, N.S. Gabdulova, et all. - High-performance computing systems and technologies. 8 (2018), 172-176. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 20 Dynamic Chemical Passivation of Absorber Layer Trap States and its Real-time Effect on the Device Performance in Back-Contact Perovskite Solar Cells Askhat N. Jumabekov* Department of Physics, Nazarbayev University, Nur-Sultan, 010000, Kazakhstan *E-mail: askhat.jumabekov@nu.edu.kz Hybrid organic-inorganic perovskites have been identified as one of the most promising classes of materials for photovoltaic and optoelectronic applications, due to their excellent electronic and optical properties, combined with their ease of fabrication. The efficiency of perovskite solar cells (PSCs) has increased at a remarkably fast pace, with the current maximum certified power conversion efficiency (PCE) reaching 25.2%. Conventional solid-state hybrid organic-inorganic perovskite-based solar cells have a sandwich type structure in which the perovskite absorber layer is positioned between bottom and top electrodes, typically a transparent conducting oxide (TCO) layer on glass, and an evaporated thin layer of gold or silver, respectively. Such an architecture for PCSs allows illumination of the cells only from the TCO side. Alternatively, the back- contact architecture offers the possibility of positioning both electrodes on one side of the absorber layer and shining light directly on the photoactive layer [1, 2]. This helps to avoid the occurrence of transmission losses caused by the charge collecting TCO electrode in the conventional sandwich structure for PSCs, and may have some potential application in constructing four or two terminal tandem solar cell devices. The back-contacted device architecture is also useful for conducting fundamental studies as it has an exposed photoactive area, permitting in situ measurements on the effects of chemical treatment, passivation and annealing. I will present a successful application of back-contact PSCs in studying the dynamic effect of a chemical passivation of the perovskite absorber layer and it is real-time influence on the device performance. Acknowledgement This research was supported by Nazarbayev University Faculty Development Competitive Research Grant (Grant Number: 110119FD4512, 2219-2021) and Young Researcher Grant of Ministry of Education and Science of the Republic of Kazakhstan (Grant Number: AP08052412, 2020-2022). References [1] A. N. Jumabekov, E. Della Gaspera, Z.-Q. Xu, A. S. R. Chesman, J. van Embden, S. A. Bonke, Q. Bao, D. Vak, U. J. Mater. Chem. C 4, (2016) 3125-3130. [2] L. M. Pazos-Outón, M. Szumilo, R. Lamboll, J. M. Richter, M. Crespo-Quesada, M. Abdi-Jalebi, H. J. Beeson, M. Vrućinić, M. Alsari, H. J. Snaith, B. Ehrler, R. H. Friend, F. Deschler, Science 351, (2016) 1430- 1433. mailto:askhat.jumabekov@nu.edu.kz The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 21 Fabrication of back-contact solar cells by microsphere lithography Z. Umatova*, A. Jumabekov Nazarbayev University, 53 Kabanbay Batyr Avenue *E-mail: zarina.umatova@nu.edu.kz The back contact solar cells are a promising alternative to the traditional sandwich type devices. The most convenient and low cost method to fabricate back-contact solar cell devices is using microsphere lithography [1] as it can be performed without expensive photolithography tools and cleanroom. The self- assembly of polystyrene microbeads [2] was performed on top of APTES (3-Aminopropyl)triethoxysilane) functionalized surface of tin oxide layers on conductive glass substrates and deposited with magnetron sputtering. The deposition of microsphere beads on the substrates is achieved via electrostatic attraction forces between positively charged molecular monolayer-functionalized substrate and negatively charged micron-sized polystyrene microbeads with carboxyl surface groups. Resulting back-contact electrodes are used for fabrication of perovskite solar cell devices. Copper was chosen as a cathode layer in order to adapt existing processes on plastic substrates due to lower oxidation temperatures [3] compared to nickel [4]. Acknowledgement This research was supported by Nazarbayev University Faculty Development Competitive Research Grant (Grant Number: 110119FD45122219-2021) and Young Researcher Grant of Ministry of Education and Science of the Republic of Kazakhstan (Grant Number: AP08052412, 2020-2022). References [1] Askhat N. Jumabekov, Julian A. Lloyd, Dorota M. Bacal, Udo Bach, and Anthony S. R. Chesman, Fabrication of Back-Contact Electrodes Using Modified Natural Lithography, ACS Applied Energy Materials, 2018, 1, 1077−1082 [2] https://www.polysciences.com/default/polybead-carboxylate-microspheres-100956m [3] M.Lenglet, K.Kartouni, J.Machefert, J.M.Claude, P.Steinmetz, E.Beauprez, J.Heinrich, N.Celati Low temperature oxidation of copper: The formation of CuO, Materials Research Bulletin, Volume 30, Issue 4, April 1995, Pages 393-403 [4] R. Haugsrud, On the high-temperature oxidation of nickel, Corrosion Science 45 (2003) 211–235 mailto:zarina.umatova@nu.edu.kz https://www.polysciences.com/default/polybead-carboxylate-microspheres-100956m https://www.sciencedirect.com/science/article/pii/0025540895000259#! https://www.sciencedirect.com/science/journal/00255408 https://www.sciencedirect.com/science/journal/00255408/30/4 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 22 Simulation of Antireflection Coatings System Based on DLC/Porous Si and TiO2/SiO2 for Si Solar Cells Sholpan Nauryzbekova, Kair Nussupov, Dina Bakranova* Kazakh-British Technical University, Almaty, Kazakhstan *E-mail: d.bakranova@kbtu.kz The exploitation of diamond-like carbon (DLC) films in a wide range of practical applications attracts scientific interest [1]. More than 35% of solar radiation reflects from the surface of a silicon solar cell. This phenomenon negatively affects the quantity of generation of electron-hole pairs. Inhibiting of reflection can be achieved by applying anti-reflection coatings (ARC) on the silicon surface, with refractive indices n between n = 1 (Air) and n = 4.0 (Si). In the visible spectrum n = 1.5–3 for porous silicon, n = 2.4 for the DLC film, n = 1.5 for SiO2 and n = 2.1–2.5 for TiO2 [2]. By changing the thickness of the layers, the minimum of Inhibiting can be shifted to different parts of the spectrum. The deposition of two-layer films allows for expanding the useful range. A porous silicon layer has important advantages: the textured surface, the possibility of changing the bandgap, the ease of manufacture of the layer, and the variation of the refractive index by electrochemical anodization. Silicon DLC films are characterized by high mechanical, chemical, and radiation resistance. Figure 1 - Reflection spectra of a) DLC/Porous Si/Si and b) TiO2/SiO2/Si obtained using the Lumerical FDTD program. The modeling of the reflection coefficient with a commercial simulation base revealed the optimum ratios of the thicknesses d of the DLC/Porous Si and TiO2/SiO2. Encouraging results were obtained with the following layer parameters: n(DLC) = 2.4, d(DLC) = 90 nm; and n(PS) = 2.2, d(PS) = 50 nm. Reflection in a wide range of 500–700 nm was about 10% (Fig. 1a). The following parameters were obtained for the two-layer TiO2/SiO2 system: n(TiO2) = 2.1, d(TiO2) = 150 nm; n(SiO2) = 1.5, d(SiO2) = 90 nm. The reflection was less than 1.5% in the range of 500–550 nm (Fig. 1b). It is possible to significantly reduce reflection and increase the efficiency of solar cells. References [1] Beisembetov I.K., Beisenkhanov N.B., Dochshanov A.M., Zharikov S.K., Kenzhaliev B.K., Nussupov K.Kh. Sintez plenok so strukturoy tipa almaza (S, SiC) na kremnii osazhdeniyem libo implantatsiyey ionov 12C (Synthesis of films with a diamond (C, SiC) like structure on silicon by deposition or implantation of 12C ions)//Vestnik NNGU. Nizhniy Novgorod. №3 (1). 2011. S. 50-55. [2] https://refractiveindex.info/ a) b) R e fl e c ti o n , % R e fl e c ti o n , % Wavelength, micron Wavelength, micron mailto:d.bakranova@kbtu.kz https://refractiveindex.info/ The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 23 Investigation of SiC based antireflection coatings for Si solar cells by numerical FTDT simulations Assanali Sultanov*, Kair Nussupov, Nurzhan Beisenkhanov** Kazakh-British Technical University, Almaty, Kazakhstan *E-mail: asanalisultanovs@gmail.com **E-mail: beisen@mail.ru Amorphous silicon-based thin layers (SiO2, SiN, a-SiC:H, and so on) for antireflection coatings, diffusion barriers, passivation layers have been broadly researched in the solar cell industry [1]. Such advantages of hydrogenated amorphous silicon carbide as a wide forbidden zone, excellent coefficient of thermal expansion, which corresponds to silicon wafers, relatively good thermal and mechanical stability [1,2], the possibility of being used as an antireflection and passivating layer simultaneously, make it an important material for use in solar cells. One of the key factors negatively affecting the efficiency of solar cells is the reflection of incident light. The use of antireflection coatings can significantly increase the amount of light involved in the generation of an electron-hole pairs, which in turn increases the efficiency of solar cells. Due to the effective refractive index n ranging from 2.560 to 2.832 and ease of synthesis [3], SiC has a high potential for use in antireflection coatings. In this paper, a series of simulations of SiC based antireflection coatings was carried out. The reflections of a single SiC layer, double-layer SiC-MgF2 coating and triple-layer SiC-ZnS-MgF2 coating in the range of wavelength from 300 to 800 nm was compared. The optimization of the results showed that the double- layer structure reaches a minimum reflection of 0.006% at the level of 737 nm. Moreover, in the interval from 475 to 800 nm, the reflection does not exceed 1%. Subsequently, the double-layer structure was compared with more classical combinations of ZnS-MgF2 and TiO2-SiO2. As the simulations show, SiC-MgF2 antireflective coating achieves better results indicating its high prospective for future application. References [1] Joung Y.-H., Kang H.I., Kim J.H., Lee H.-S., Lee J., Choi W.S. SiC formation for a solar cell passivation layer using an RF magnetron co-sputtering system. Nanoscale Res. Lett. 2012. 7(1):22. [2] Nussupov K.Kh., Beisenkhanov N.B., Bakranova D.I., Keiinbay S., Turakhun A.A., Sultan A.A. Low- temperature synthesis of α-SiC nanocrystals. Physics of the Solid State. 61 (12). 2019. 2473-2479. [3] Choyke W.J., Patrick L. Refractive Index and Low-Frequency Dielectric Constant of 6H SiC, Journal of the Optical Society of America. 58 (3). 1968. 377-379. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 24 Enhancement of photovoltaic properties of polymer solar cells by modifying a structure of PEDOT:PSS layer B.R. Ilyassov1*, А.К. Aimukhanov2, X.S. Rozhkova2, А.К. Zeinidenov2, N. Nuraje1** 1Department of Chemical and Materials Engineering, Nazarbayev University, 53 Kabanbay batyr ave., Nur-Sultan, 010000, Kazakhstan, 2The Karaganda State University of the name of academician E.A. Buketov, University str., 28, Karaganda, 100028, Kazakhstan, *E-mail: baurzhan.ilyassov@nu.edu.kz **E-mail: nurxat.nuraje@nu.edu.kz Demand for developing robust renewable energy systems is increasing due to expiring fossil fuel deposits and ecological issues caused by using traditional energy sources. Among different renewable energy resources, solar energy is more attractive due to it can be transformed directly to heat, electricity or chemical energy. Photovoltaic devices are rapidly developing technology and have attracted attention of researchers and engineers from different fields. Polymer solar cells (PSCs) are very promising photovoltaic devices owing to facile fabrication method and cost-effectiveness of photoactive and semiconducting polymer materials [1]. PEDOT:PSS is semiconducting polymer materials with p-type conductivity which has become key components of PSCs [2]. The main role of PEDOT:PSS layer in PSCs is to extract photogenerated holes from photoactive layer and transport them to an external electrode [3]. The efficiency of hole extraction and transport depends on the quality of interface between PEDOT:PSS and photoactive layer and crystallinity of PEDOT:PSS. Here, we modified PEDOT:PSS layers obtaining by a spin-coating method from aqueous solution by adding 2-proponal. The improvement of structure and surface morphology was investigated by atomic force microscopy. Also, impedance spectroscopy technique was used to analyze charge transfer and transport. The modified PEDOT:PSS layers revealed better structure and surface morphology, and showed improved hole extraction and transport in comparison to an unmodified layer. PSCs with modified PEDOT:PSS layer have improved photovoltaic performance, which leads to enhancing the short circuit current density by 1.7 times, and power conversion efficiency and quantum efficiency of cells by 1.6 times. Acknowledgement This work was funded by a grant of No. 544-F-19 "Development of a solar energy photoconverter based on semiconductor polymers and metal-phthalocyanines", Karaganda State University. References [1] P. K. Nayak, S. Mahesh, H. J. Snaith & D. Cahen, Nature Reviews Materials. 4 (2019) 269-285 [2] X. Fan et al., Advanced science. 6 (2019) 1900813 [3] L. Hu, J. Song, X. Yin, Zh. Su and Z. Li, Polymers. 12 (2020) 145 The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 25 Magnetic and electronic properties of PtSe2 thin film Olzat Toktarbaiuly*, Askar Syrlybekov, Ozhet Mauit National Laboratory Astana, Nazarbayev University, 53 Kabanbay Batyr Ave, Nur-Sultan, 010000, Kazakhstan *E-mail: olzat.toktarbaiuly@nu.edu.kz Two-dimensional (2D) materials with single or few atomic layers have attracted significant attention from the scientific community due to their potential transport physics and prospects for technological applications. A variety of 2D materials beyond graphene with different bandgaps have been synthesized in recent years. One of them is platinum diselenide (PtSe2) with the bandgap energy of 1.2 eV at one monolayer. However, the low throughput synthesis of high quality 2D thin films has thus far hindered the development of devices. The methods of molecular beam epitaxy (MBE) and chemical vapor deposition (CVD) have been used to achieve large-scale fabrication of PtSe2 films, which were fabricated from Pt thin films with different thickness through selenization process. We have grown Fe3O4 on MgO substrate by MBE system in order to fabricate even better epitaxial Pt thin films. After the fabrication of PtSe2 on Fe3O4/MgO, the electronic and magnetic properties of the interface between two epitaxial grown thin films of platinum diselenide and magnetite have been studied. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 26 Effect of annealing on the optical properties of TiO2 films Oleg Prikhodko*, Svetlana Mikhailova**, Yerzhan Mukhametkarimov, Suyumbika Maksimova, Kuanysh Dauitkhan, Ulantai Doseke NNLOT, al-Farabi Kazakh National University, 71 al-Farabi avn. 050040 Almaty, Kazakhstan *E-mail: prikhodko_o@mail.ru **E-mail: skysvetik91@mail.ru In this work, TiO2 films, which were obtained by ion-plasma high-frequency magnetron sputtering of a polycrystalline rutile target in an argon atmosphere at 1 Pa pressure were studied. The TiO2 films were annealed for 1 hour in air in the temperature range from 100 °C to 400 °C with 100 °C increment. It was found that the TiO2 films have high transparency, which remains almost unchanged during annealing. The fundamental absorption edge of the films, which is located from 320 to 380 nm, also changes slightly with increasing annealing temperature up to 400 °C. The refractive index n(λ) of the films decreases with incident radiation increasing and, as a result, TiO2 films are characterized by normal dispersion. With increasing annealing temperature, the refractive index n in the long-wavelength region of the spectrum increase in comparison with those in films without annealing. When comparing the calculated values of n(λ) with theoretical values, one can see that in the short- wavelength region of the spectrum, the dependences n(λ) coincide, while discrepancies are observed with wavelength increasing. This may be due to the structural features of the films, which depend on their thickness. In a literature, the refractive index of titanium dioxide was measured for samples with ~ 1-2 μm thickness, while in this work the films with ~ 270 nm thickness were studied. From the calculated n(λ), we can conclude that for TiO2 films the optical properties are stable up to a temperature of 600 °C. It was found that the absorption laws are equally well satisfied for the studied TiO2 films before and after annealing. This means that for TiO2 films before and after annealing at 400 °C, the realization of direct and indirect optical transitions upon absorption of light quanta is equally probable. Optical band gap of the films annealed at 400 °C, determined from the quadratic absorption law, was ~ 3.01 eV, which is typical for TiO2 films with a rutile structure. This Eg is significantly less than the value obtained using the law with γ = 1/2, which corresponds to the allowed direct-gap optical transitions. Acknowledgement This research was supported by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant № AP05132897) References [1] H.B. Yao, L.P. Shi, T.C. Chong, etc. Jpn. J. Appl. Phys. (2003) 828-831 mailto:prikhodko_o@mail.ru mailto:skysvetik91@mail.ru The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 27 Silver nanowires mesh electrode for metal-semiconductor-metal perovskite solar devices. Almaz Beisenbayev*, Askhat Jumabekov** School of Sciences and Humanities, Nazarbayev University, Nur-Sultan, 010000, Kazakhstan *E-mail: almaz.beisenbayev@nu.edu.kz, **E-mail: askhat.jumabekov@nu.edu.kz Solar cells are one of the most promising clean energy technologies due to their reasonably high energy conversion efficiencies and low carbon footprint. Traditional photovoltaic devices such as Si or thin films solar cells require multi-step fabrication processes that involve costly manufacturing processes, which decreases their competitiveness compared to other types of renewable and energy technologies [1]. Thus, a quest for high- performance PV devices with cost-effective and simple manufacturing has enormous industrial and economic significance. Here, we report on the progress of our work on fabrication of simple metal-semiconductor-metal (MSM) perovskite solar cells (PSCs), in which the metal electrodes directly contact the perovskite layer to create Schottky junction solar cells. The photovoltaic properties of MSM PSC will strongly depend on the asymmetry in work function values of two metal contacts which are gold back-contact electrode and silver nanowire (AgNWs) mesh [2, 3]. Modified polyol synthesis was used to produce AgNWs [4]. To achieve homogeneous, uniform and highly- conductive mesh formed by AgNW on the perovskite layer, various fabrication protocols (deposition technique, ambience, solvent, volume, etc.) have been tested. We have developed several protocols for obtaining AgNW mesh electrodes deposited on top of thin perovskite films on glass substrates with the sheet resistances of the AgNW mesh as small as ~ 2 KΩ/□. Further experiments with AgNWs deposition are in progress to enhance the conductivity and, and consequently, to fabricate MSM PSC device with desired performance. Four-point probe measurement system and scanning electron microscopy were used to characterize sheet resistance of AgNWs mesh electrodes on perovskite films and analyze their morphology, respectively. Acknowledgement This work is supported by Nazarbayev University Faculty Development Competitive Research Grant (Grant Number: 110119FD4512, 2219-2021) and Young Researcher Grant of Ministry of Education and Science of the Republic of Kazakhstan (Grant Number: AP08052412, 2020-2022). References [1] L. Partain; L. Fraas. (2010). Hoboken, New Jersey: John Wiley & Sons, Inc.; [2] K. Yan; Z. Wei; J. Li, et al. Small. 11(19) (2015) 2269-2274; [3] X. Lin, A. Jumabekov, et al. Nature Communications. 8(613) (2017) 1-8 [4] B. Li, S. Ye, et al. Nano Letters, 15(10) (2015) 6722–6726. mailto:almaz.beisenbayev@nu.edu.kz The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 28 ZnO-ITO multilayered structure on Si substrate with prospective usage as antireflective covering for solar cells Nuriya Abdyldayeva*, Nurzhan Beisenkhanov** Kazakh-British Technical University, Almaty, Kazakhstan *E-mail: nakhmetova@nu.edu.kz **E-mail: beisen@mail.ru ZnO and SnO2 are some of the most important functional oxides with direct wide band gaps (3.37 and 3.95 eV). They are widely used in electronics as transpared electrodes, materials for optoelectronic devices and solar sells [1]. As is known, nearly 40% of incident light is reflected back in silicon wafers in the 550 nm wavelength region. This causes a significant loss in solar cell efficiency. Capturing of incident light is an essential requirement for high-performance solar cells. Photocurrent in solar cells can be increased by fabricating of antireflective coatings, which are beneficial in transmitting maximum light in such a way that minimal light is reflected from the air–substrate interface. Theoretical modelling of the antireflective thin films, such as ZnO [2], unlocks new options for production of wideband-tunable antireflective coatings that can be applicable in high-performance photovoltaic applications. This study uses a silicon wafer as the substrate, on which the multilayered structure is formed. This structure includes a 500-nm thick ITO (Indium tin oxide) film, ZnO films with variable thickness and ZnO nanorods of various radii on the top. This kind of coating can enhance solar cell productivity at omnidirectional angles because there is a gradual declination of the refractive index. The multilayered structure were designed and tested using Lumerical FDTD (Finite-difference time-domain) simulations [3], and this reduced it reflectance to <0.5% in the 400-700 nm wavelength range. Optimization results indicate that ZnO nanorods with r = 35 nm on a 70-nm ZnO uniform film on the top of ITO thick film has reflectance of 0.0004-0.5% in the visible region. Lumerical FDTD helps and permits the operator to define an appropriate design using different inorganic materials applicable to various supporting substrates and illuminants [3]. This software is a reliable simulation tool that can operate in varying environmental conditions. References [1] Mukashev B.N., Aimagambetov A.B., Mukhamedshina D.M., Beisenkhanov N.B.*, Mit’ K.A., Valitova I.V., Dmitrieva E.A. Study of structural, optical and electrical poperties of ZnO and SnO2 thin films. Superlattices Microstruct. 2007. 42. P.103−109. [2] Lu, X. H., Wang, D., Li, G. R., Su, C. Y., Kuang, D. Bin, & Tong, Y. X. (2009). Controllable electrochemical synthesis of Hierarchical ZnO nanostructures on FTO glass. J. Phys. Chem. C, 113(31). [3] Stephen D. Gedney, Introduction to the Finite-Difference Time-Domain (FDTD) Method for Electromagnetics. Morgan & Claypool publishers, (2011). The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 29 Sensitiztion of TiO2 by merocyanine dye in the prescence of plasmon nanoparticles Niyazbek Ibrayev*, Evgeniya Seliverstova, Gulden Omarova Institute of Molecular Nanophotonics, Buketov Karaganda University, Universitetskaya str. 28, Karaganda, 100024, Kazakhstan, *E-mail: niazibrayev@mail.ru Currently, an active search and study of non-metal organic luminophores for dye-sensitized solar cells is peformed. Merocyanine dyes are characterized by high bipolarity, narrow selective absorption bands, high absorption cross sections (extinctions) and high photochemical stability. In present work we have studied the effect of Ag nanoparticles (NPs) on the sensitization of a TiO2 film by merocyanine dye. For this purposes dye was adsorbed onto porous TiO2 films with the addition of Ag/TiO2 core-shell nanostructures at a concentration of 0, 0.5, 1, and 2 wt%. These nanostructures consist of a core – Ag nanoparticles (20 nm in diameter) and a TiO2 shell with a thickness of 4 nm. These TiO2 films were used both for spectral-luminescence measurements and for DSSC assembling according to a standard technique. The absorption spectrum of merocyanine is located in the region of 500 – 650 nm with a maximum at 590 nm, the fluorescence band is centered at 630 nm. The measurements showed that the addition of Ag/TiO2 NPs does not affect on the shape and position of the absorption and fluorescence bands of the dye. In the presence of plasmonic NPs, a 30% increase in the fluorescence intensity of the dye was recorded. The fluorescence lifetime of the dye practically does not change in the presence of Ag/TiO2 NPs. The current–voltage characteristics (CVC) of solar cells were measured under the illumination with a Xe lamp with a power of 100 mW/cm2. The merocyanine dye has the following photovoltaic parameters: Isc=0.18 mA/cm2, Voc=355 mV, FF=0.33, η=0.21%. The addition of Ag/TiO2 NPs doubles the efficiency of the DSSC sensitized with a merocyanine dye and Isc=0.6 mA/cm2, Voc=373 mV, FF=0.20, η=0.43%. The data on the spectral sensitivity of DSSC show that the addition of Ag/TiO2 NPs results in the growth in the spectral sensitivity of the solar cell in the absorption band of the dye. At the same time, absorption of plasmonic Ag NPs was recorded in the region of 420 nm. Thus, the combinatioin of the growth of fluorescence and spectral sensitivity of solar cells with Ag/TiO2 NPs leads to an increase in the efficiency of the generation of charge carriers in a semiconductor sensitized by the investigated merocyanine. Acknowledgement This research was supported by Ministry of education and science of the Republic of Kazakhstan (BR05236691). The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 30 Effect of copper sulfate concentration in growth solution on photocatalytic properties of ZnO/CuO nanostructures Y.Y. Kedruk1*, L.V. Gritsenko1,2**, Kh.A. Abdullin2, G. Cicero3 1Satbayev University, Satpayev str., 22, Almaty, Kazakhstan 2National nanotechnology laboratory of open type at al-Farabi Kazakh National University, al-Farabi ave., 71, Almaty, Kazakhstan 3Department of Applied Science and Technology, Politecnico di Torino, Corso Duca degli Abruzzi, 24, 10129 Turin, Italy *E-mail: janegirl10@mail.ru, **E-mail: gritsenko_lv@mail.ru Metal oxide semiconductors are the most suitable materials used for photocatalytic processes in industry and the environment (in particular, they are involved in wastewater decontamination processes). Semiconductors are relatively inexpensive, safe for health, chemically stable, and have high photosensitivity [1, 2]. One of the most challenging tasks at present is to improve the photocatalytic activity of photocatalysts for practical applications in the visible range, namely, high energy transfer efficiency, non-toxicity and low cost. The main efforts in the field of photocatalysis are devoted to the modification of existing photocatalysts to increase their photocatalytic characteristics [3]. In this work, semiconductor composites of copper (II) oxide and zinc oxide (ZnO/CuO) were synthesized using a low-cost method. To study the effect of the concentration of copper sulfate in the growth solution on the photocatalytic properties ZnO/CuO nanocomposites were synthesized by a low-temperature hydrothermal method. The aqueous solution contained copper sulfate, zinc chloride, and sodium hydroxide. A series of samples with different concentrations of copper sulfate (0.7 mmol - 2.0 mmol) was considered. The results of studying of the synthesized samples by electron microscopy showed that the obtained ZnO/CuO nanocomposites consist of thin filamentary ZnO rods with CuO nanoparticles attached to them. It was noted that an increase in the copper sulfate concentration in the growth solution to 2.0 mmol with the remaining parameters unchanged leads to an insignificant change in morphology: the volume of flocculent structures and the amount of CuO nanoparticles increase. Samples of the RhB solution for measuring of the optical density spectra were carried out every 30 minutes for 150 minutes. It should be noted, that with the used the same parameters for the ZnO/CuO powders synthesis, an increase in the amount of CuO nanoparticles in ZnO/CuO composites leads to a decrease in their photocatalytic activity which appears to be due to dimming effect at UV exposition. Acknowledgement This research was supported by grant AP05130100 of Ministry of Education and Science of the Republic of Kazakhstan. References [1] Widiarti N., et. al., IOP Conf. Ser. Mater. Sci. Eng. 172 (2017) 012036. [2] Karunakaran C., et. al., Langmuir. 30 (2014) 15031–15039. [3] K. Maeda, et. al., Nature 440 (2006) 295. mailto:janegirl10@mail.ru The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 31 Light Management in Perovskite Solar Cell by Incorporation of Carbon Quantum Dots Askar A. Maxim1*, Damir Aidarkhanov1, Timur Sh. Atabaev2**, Askhat N. Jumabekov3**, Annie Ng1** 1Department of Electrical and Computer Engineering, Nazarbayev University, Nur-Sultan 010000, Kazakhstan 2Department of Chemistry, Nazarbayev University, Nur-Sultan 010000, Kazakhstan 3 Department of Physics, Nazarbayev University, Nur-Sultan 010000, Kazakhstan *E-mail: askar.maxim@nu.edu.kz **E-mail: timur.atabaev@nu.edu.kz; askhat.jumabekov@nu.edu.kz; annie.ng@nu.edu.kz Perovskite solar cells (PSCs) with a standard sandwich structure suffer from optical transmission losses due to the substrate and its active layers. Developing strategies for compensating for the losses in light harvesting is of significant importance to achieving a further enhancement in device efficiencies. In this work, the down-conversion effect of carbon quantum dots (CQDs) was employed to convert the UV fraction of the incident light into visible light. For this, thin films of poly(methyl methacrylate) with embedded carbon quantum dots (CQD@PMMA) were deposited on the illumination side of PSCs. Analysis of the device performances before and after application of CQD@PMMA photoactive functional film on PSCs revealed that the devices with the coating showed an improved photocurrent and fill factor, resulting in higher device efficiency. Meanwhile, other effective incorporation approaches of CQD in PSCs will be demonstrated. The underlying mechanism for the enhancement in device performance will be investiaged. The obtained results will provide an valuable insignt into the community for future light management during PSC fabrication. Acknowledgement A.N.J. acknowledges the financial support from the FDCRG (Grant Number: 110119FD4512) and SPG fund (Nazarbayev University). T.S.A. acknowledges the financial support from the FDCRG (Grant Number: 240919FD3929). C.S. thanks NU (Grant Number: 090118FD5326) for the support. A.N. acknowledges the grant 110119FD4506 (Nazarbayev University) and the targeted program BR05236524 funded by Ministry of Education and Science, Kazakhstan. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 32 Ag:TiO2 plasmonic nanocomposite films obtained by RF magnetron co-sputtering Yerzhan Mukhametkarimov1*, Svetlana Mikhailova1**, Oleg Prikhodko1, Kuanysh Dauitkhan1, Darya Puzikova1,2, Ulantai Doseke1 1NNLOT, al-Farabi Kazakh National University, 71 al-Farabi avn. 050040 Almaty, Kazakhstan 2D.V. Sokolsky Institute of Fuel, Catalysis and Electrochemistry JSC, 142 Kunaev str. 050010, Almaty, Kazakhstan *E-mail: yerzhan.mukhametkarimov@kaznu.kz **E-mail: skysvetik91@mail.ru It is known that TiO2 is a wide-gap semiconductor, which due to its low cost and photocatalytic properties has found great application in purification of water and organic pollution, as well as solar energy [1]. To expand an application area, various methods of functionalization and alloying of TiO2 with various metallic and nonmetallic impurities and particles are used. One of these ways is usage of plasmon nanoparticles, like Au and Ag, to increase the absorption region in the visible range [2]. In this work, plasmon nanocomposite films of Ag:TiO2 were obtained by RF magnetron co-sputtering [3]. It was revealed that the films consist of an amorphous TiO2 matrix and isolated silver nanoparticles with 3-5 nm diameter. The optical absorption spectra of Ag:TiO2 nanocomposite films are characterized by local maxima at 465-480 nm corresponding to light scattering plasmon resonance (LSPR). Photoelectrochemical studies of Ag:TiO2 nanocomposite films in 0.1 M Na2SO4 under illumination with 465 nm light showed that silver nanoparticles presence in the matrix increases the photoconductivity. The quantum yield for Ag:TiO2 composite films increases significantly, while for a pure TiO2 film this value does not exceed 0.5%. In addition, work was carried out related to the degradation of the methylene blue dye (MB dye) under the direct action of solar radiation, from which it follows that the presence of silver nanoparticles in the TiO2 matrix increases the rate of decoloration of the aqueous solution with MB dye. Thus, the obtained TiO2:Ag nanocomposite films are a promising material for use in nonlinear optics, electronics, electrooptics, photocatalytic and antireflection coatings and photoconverters, as well as in biomedicine as antibacterial coatings. Acknowledgement This research was supported by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant № AP05132897) References [1] A. Fujishima, X. Zhang, D. A. Tryk Surface Science Reports 63 (2008) 515–582. [2] G. Zhao, H. Kozuka, T. Yoko, Thin Solid Films 277 (1996) 147–154. [3] O. Yu. Prikhodko, S. L. Mikhailova, E. C. Mukhametkarimov etc. Proc. SPIE, Nanostructured Thin Films IX 9929 (2016) 99291G. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 33 Bulk and Interfacial Defect Passivation for High Perofrmance Perovskite Solar Cells Damir Aidarkhanov1*, Zhiwei Ren1, Chang-Keun Lim2,3, Zhuldyz Yelzhanova1, Gaukhar Nigmetova4, Bakhytzhan Baptayev4, Mannix Balanay4, Charles Surya5, Paras N. Prasad2, Annie Ng1** 1Department of Electrical and Computer Engineering, Nazarbayev University, Nur-Sultan, Kazakhstan 2 Department of Chemistry and Institute for Lasers, Photonics, and Biophotonics, University at Buffalo, The State University of New York, Buffalo, NY 14260, United States 3Department of Department of Chemical and Material Engineering, Nazarbayev University, Nur-Sultan, Kazakhstan 4 Department of Chemistry, Nazarbayev University, Nur-Sultan, Kazakhstan 5 Nazarbayev University, Nur-Sultan, Kazakhstan *E-mail: aidarkhanov@nu.edu.kz **E-mail: annie.ng@nu.edu.kz Nowadays, perovkite materials are considered to be the most promising absorber media for the third generation photovoltaics. Outstanding material properties allowed perovskite solar cells’ power conversion efficiency values to exceed 25% in ten years, demonstrating the highest efficiency increase rate among all the available photovoltaic technologies. Despite such progress technology commercialization requires further device performance enhancement. Here, we report a performance increase strategy implying passivation of both bulk and interfacial defect states. To passivate the bulk defects an organic cross linker, 2,2′- (ethylenedioxy)bis (ethylammonium iodide) (GAI), was added into the mixed perovskite absorber layer. Different experimental techniques reveal that optimized amount of GAI, indeed, passivates defect states via cross-linking perovskite grains, while excess amount of cross-linker material deteriorates device performance due to generation of new defects and poor conductivity of the organic additive. The interfacial defects were passivated by interface engineering technique, namely, via application of a composed electron transport layer (ETL) consisting of quantum dot (QD) SnO2, nanoparticle (NP) SnO2 and a passivation layers based on PMMA:PCBM. It was demonstrated that a single-layer ETL made of QD SnO2 or NP SnO2 causes devices to show I-V hysteresis, while application of a triple-layer ETL effectively suppresses the hysteresis due to the optimization of ETL/perovskite interface. Thus, the cumulative effect of both applied techniques allowed to increase device’ power conversion efficiency, almost completely remove hysteresis and improve the solar cell stability. Acknowledgement This research was supported by Nazarbayev University Grant Numbers: 090118FD5326, 110119FD4506, the targeted Program BR05236524 and social policy grants. The research at Buffalo was supported by a grant from the US Air Force Office The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 34 Advanced Functional Nanomaterials for Photocatalytic Water Splitting Nurxat Nuraje Department of Chemical & Materials Engineering Nazarbayev University *E-mail: nurxat.nuraje@nu.edu.kz Through mimicking Nature, unique assembled nanostructures can be designed and fabricated to improve certain properties of materials and device performance for targeted applications. In this presentation, we discuss the synthesis, and characterization of novel bio-inspired and biomimetic functional nanomaterials, and their properties. At the same time, we discuss how to apply them to investigate fundamental science in photocatalytic water splitting via creating their hierarchical nanostructured materials. In brief, this talk will focus on the following topics: (a) synthesis of bio-inspired functional nanomaterials; (b) fabrication of unique nanoarchitectures to better understand fundamental science; and (c) Applying these unique nanomaterials and nanostructures to resolve the scientific problems in Photocatalytic Water Splitting. Acknowledgement This research was supported by FDRG grant of Nazarbayev University (SEDS2020 016) The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 35 Synthesis and modification of Gadolinium ferrite nanoparticles for potential application in neutron capture therapy Alexandr Zibert1*, Ilya Korolkov2** 1L.N. Gumilyov Eurasian National University, Astana, Kazakhstan 2The Institute of Nuclear Physics, Almaty, Kazakhstan *E-mail: alexander.zibert@bk.ru **E-mail: i.korolkov@inp.kz For decreasing the mortality from cancer diseases it is crucial to develop effective and low-invasive treatment methods. One of them is appeared to be neutron-capture therapy (NCT). It is based on a neutron capture reaction of isotopes delivered to tumor and thermal neutron flux. In this kind of reaction with 10B or 157Gd (or their combination) resulting particles have high index of linear energy transfer and low path length. That means effective ablation of cells in a short range. But still for NCT to become beneficial two technical problems should be solved: constructing of compact sources of pointed neutron flux and ability to directly deliver NCT agents in appropriate amount [1]. Delivering via magnetic nanocarriers (MNC) is considered to be promising. MNC are injected in-vivo and guided to tumor by external high-gradient magnetic field [2]. For this purpose, modified GdxFe3-xO4 particles were chosen to be MNC. GdxFe3-xO4 nanoparticles were synthesized with a chemical co-precipitation method. Average size of gained particles is 33±9 nm. For excluding the toxicity of Gd, particles were covered by tetraethoxysilane (TEOS). Size of TEOS-covered particle – 83 nm. Then it was functionalized with 3-(trimethoxysilyl) propyl methacrylate (MSPMA) to create double bond for further use in graft polymerization of glycidyl methacrylate that led to branched structure allowing attaching carborane cores with higher concentration. Final size is 95 nm. Gained NPs were characterized by SEM, EDX and FTIR spectroscopy. EDX spectroscopy confirmed the presence of covers. Figure 1 presents SEM scans. A B C Figure 1. SEM images of A) GdxFe3-xO4 B) GdxFe3-xO4–TEOS C) GdxFe3-xO4–TEOS-MSPMA References [1] Barth R. F., Grecula J. C. Applied Radiation and Isotopes. (2019) 109029. [2] Dobson J. Drug development research. 67 (2006) 55-56. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 36 Enhancing of charge transfer efficiency from a perovskite CH3NH3PbI3 film in a layer of titanium dioxide in the presence of Ag/SiO2 nanoparticles. Niazbek Ibrayev, Dmitriy Afanasyev*, Dias Toleutay Institute of Molecular Nanophotonics, Buketov Karaganda State University, Universitetskay st. 28A, Karaganda, 100028, Kazakhstan *E-mail: a_d_afanasyev@mail.ru Using of localized plasmon resonance (LPR) in metal nanoparticles (NPs) is one of the promising directions for increasing of perovskite solar cells efficiency [1, 2]. Metal NPs coated dielectric shell can be used to exclude the contribution of the NPs to the total electrical conductivity of a perovskite films. The influence of LPR in the "core-shell" NPs on the process of charge transfer from a perovskite CH3NH3PbI3 layer to TiO2 layer is studied in the work. Samples with ITO−TiO2−CH3NH3PbI3 layers structure film were fabricated. Ti-Nanoxide BL/SC (Solaronix) paste were used for fabrication a compact TiO2 layers. CH3NH3PbI3 films synthesized by a one- step method [3]. 0.1 wt% Ag/SiO2 NPs with respect to the mass of the perovskite was added to a solution of a CH3NH3I•PbI2•DMSO adduct in dimethylformamide. The diameter of Ag NPs was 5 nm, and the radius of the dielectric shell (SiO2) was 2.5 nm. The addition of NPs to the adduct solution leads to the formation of the perovskite films with a lower optical density than the perovskite without NPs. A decrease in the intensity of the luminescence, and a blue shift in wavelengths of the luminescence intensity maximum is observed for the CH3NH3PbI3 films with NPs compared to this parameters for CH3NH3PbI3 films without NPs. The luminescence lifetime also decreases for the CH3NH3PbI3 with NPs. The intensity maximum of the luminescence kinetics for CH3NH3PbI3 with NPs has a time delay (0.05 - 0.1 ns) in comparison with the maximum luminescence intensity of perovskite without NPs. These results indicate an increase in the efficiency of charge transfer from perovskite to TiO2 in the presence of Ag/SiO2 NPs. Acknowledgement This research was supported by Ministry of education and science of the Republic of Kazakhstan (BR05236691). References [1] K. Chan, M. Wright, N. Elumalai, A. Uddin, S. Pillai, Adv. Optical Mater. 5 (2017) 1600698(1-19). [2] R.S. Moakhar, S. Gholipour, S. Masudy-Panah, A. Seza, A. Mehdikhani, N. Riahi-Noori, S. Tafazoli, N. Timasi, Y.-F. Lim, M. Saliba, Adv. Sci. 7 (2020) 1902448(1-19). [3] N. Ahn, D.-Y. Son, I.-H. Jang, S.M. Kang, M. Choi, N.-G. Park, J. Am. Chem. Soc. 137, 27 (2015) 8696– 8699. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 37 Free energy of metal ion binding to some functional groups of concrete admixtures in water Mirat Karibayev1, Hongxia Zhao2, Almagul Mentbayeva1, Yanwei Wang1* 1Department of Chemical and Materials Engineering, School of Engineering and Digital Sciences, Nazarbayev University, Nur-Sultan, Kazakhstan 2State Key Laboratory of High-Performance Civil Engineering Materials, Jiangsu Sobute New Materials Co. Ltd., Nanjing, Jiangsu, China *E-mail: yanwei.wang@nu.edu.kz Concrete is the most used man-made materials on earth and has played a fundamental role in shaping our word, ranging from the cities we live in, roads and railways, to the infrastructure to support lower-carbon energy solutions [1]. Compared to other building materials, concrete is inherently a low carbon constructional material. However, as a result of the large volumes of concrete used, the production of Portland cement, the main binder of concrete, contributes 5–8% of annual anthropogenic global CO2 production [2,3] What can we do to reduce the carbon footprint and to further improve the environmental performance of concrete? Various solutions have been proposed and practiced, such as partial cement replacement by supplementary cementitious materials, development of low-carbon binders, reducing the amount of cementitious material altogether, and enhancement of concrete strength and durability; however, such solutions are often not possible without the development of efficient concrete admixtures, which have now become indispensable ingredients for the production of modern advanced concrete. There are two main types of concrete admixtures—chemical admixtures and mineral admixtures, both of which can be further grouped into various categories according to their function and chemical constituents. Our work focuses on the development of chemical admixtures, such as superplasticizers, slump-retaining admixtures, rheology modifying agents, and air entraining admixture. While those molecules are designed to sever different functions, most of them contain anionic functional groups and are supposed to act at interfaces [4]. However, the aqueous phase where chemical admixtures are dissolved in contains various metal cations, which may bind to the anionic functional groups of the chemical admixtures and play a profound role in their functions. We believe it is crucial to understand such binding interactions in order to understand the working mechanisms of chemical admixtures and to develop more efficient admixtures. Our current work has focused on calculations of the binding free energies of two different metal cations (Ca2+ and K+) with several different functional groups of chemical admixtures via two different methods—the quantum density functional theory (DFT) method and classical the force-field-based Metadynamics method. The binding free energies for potassium and calcium cations with different functional groups such as phosphonate, phosphate, carboxylate, sulfonate, sulfate, and alkoxide, as the complexes, have been explored in detail by the two methods. References [1] Global Cement and Concrete Association (GCCA), About Cement & Concrete, from https://gccassociation.org/our-story-cement-and-concrete/ [2] Flatt, R.J., Roussel, N. and Cheeseman, C.R., 2012. Concrete: An eco material that needs to be improved. Journal of the European Ceramic Society, 32(11), pp.2787-2798. [3] Crow, J.M., 2008. The concrete conundrum. Chemistry World, 5(3), pp.62-66. [4] Aïtcin, P. C., & Flatt, R. J. (Eds.). (2015). Science and technology of concrete admixtures. Woodhead Publishing. mailto:yanwei.wang@nu.edu.kz The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 38 Amorphous silicon dioxide as an anode material for li-ion batteries Kydyr Askaruly1,3**, Seitkhan Azat1,2,3, Zhantikeyev Ulan2,3, Mukhtar Yeleuov1,3 1Satbayev University, Almaty, Kazakhstan 2Al-Farabi Kazakh National University, Almaty, Kazakhstan 3Institute of Combustion Problems, Almaty, Kazakhstan *E-mail: k.askaruly@gmail.com In recent decades, progress in Li-ion batteries (LIBs) has grown dramatically. In 2016, about 6.4 billion cells were sold of LIBs and this is equivalent to 90 GWh [1]. even the Nobel Prize in Chemistry in 2019 was awarded to John Goodenough (USA), Stanley Whittingham (Great Britain) and Akira Yoshino (Japan) for the development of lithium-ion batteries. But work on improving the Li-ion batteries is still ongoing. SiO2 is one of the most widely used materials on earth. SiO2 is one of the most widely used materials on earth and is uses in the fields of medicine, cosmetics, agroindustry, electronics [2,3], and has also begun research on the use of SiO2 as an anode material in lithium-ion batteries [4]. It has a high theoretical capacity (1965 mAh•g-1) [5]. SiO2 obtained by us is amorphous and the source is rice husk (RH) from Kazakhstan (Kyzylorda region). Material synthesis is divided into two stages. Stage 1 includes washing pre-treatment by HCl and calcination at 600°C (SiO2-1). Stage 2 includes purification by dissolving in NaOH and extraction pure (SiO2- 2) by adding HCl and washing by distilled water. The use of 1 stage material as an anode material in lithium- ion batteries has shown good stability. Microstructure of SiO2-1 and SiO2-2 differs from each other. SiO2-2 at the beginning showed good stability, but from the 10th cycle, it began to lose capacity. Acknowledgement This research was supported by grant «Best teacher of higher educational institutions of the Republic of Kazakhstan 2019» References [1] Davis B. et. al. (eds.), Extraction 2018, The Minerals, Metals & Materials Series [2] Gehrke H. et al. Nanotoxicology. 2013;7:274–293. [3] Sucahya T. N. et al. Indonesian Journal of Science & Technology. 2016. [4] Liu, Z., et. al. (2018). Chemical Society Reviews [5] Babaa, M. R., et. al. (2017). Materials Today: Proceedings, 4(3), 4542–4547. The 8th International Conference on Nanomaterials and Advanced Energy Storage Systems (INESS-2020) 39 High Mass-Loading Sulfur-Composite Cathode for Lithium-Sulfur Batteries Nurzhan Baikalov2*, Nurassyl Serik2, Sandugash Kalybekkyzy, Indira Kurmanbayeva1,2, Zhumabay Bakenov1,2,3, Almagul Mentbayeva3** 1 National Laboratory Astana, Nazarbayev University, 53 Kabanbay Batyr Ave, Astana, Kazakhstan 2 School of Engineering, Nazarbayev University, 53 Kabanbay Batyr Ave, Astana, Kazakhstan 3Institute of Batteries, 53 Kabanbay Batyr Ave, Astana, Kazakhstan 4 Department of Chemistry, Marmara University, Istanbul 34722, Turkey *E-mail: nurzhan.baikalov@nu.edu.kz **E-mail: almagul.mentbayeva@nu.edu.kz Fig. 1 A schematic representation illustrating the preparation and injection process of sulfur composites into 3D current collector Lithium-