DSpace Repository

Browsing Abstracts by Author "e8498dd8-aa50-4fd9-b775-eaff592c069a"

Browsing Abstracts by Author "e8498dd8-aa50-4fd9-b775-eaff592c069a"

Sort by: Order: Results:

  • Quantum-chemical simulation of N-doped Co3O4 
    Kaptagay, G.; Mastrikov, Yu.; Kotomin, E.; Sandibaeva, N.; Kopenbaeva, A.; Baitasheva, G. (The 6th International Conference on Nanomaterials and Advanced Energy Storage Systems. Institute of Batteries LLP, Nazarbayev University, and PI “National Laboratory Astana”., 2018-08-08)
    Calculations were performed using the DFT method as implemented in the computer code VASP 5.4[1]. Core electrons were substituted with the US potentials with the PAW method [2]. Exchange-correlation described by the PBE ...