HEAT TRANSFER THROUGH HYDROGENATED GRAPHENE SUPERLATTICE NANORIBBONS: A COMPUTATIONAL STUDY
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Date
2022
Authors
Dehaghani, Maryam Zarghami
Habibzadeh, Sajjad
Farzadian, Omid
Kostas, Konstantinos V.
Saeb, Mohammad Reza
Spitas, Christos
Mashhadzadeh, Amin Hamed
Journal Title
Journal ISSN
Volume Title
Publisher
Scientific Reports
Abstract
Optimization of thermal conductivity of nanomaterials enables the fabrication of tailor-made
nanodevices for thermoelectric applications. Superlattice nanostructures are correspondingly
introduced to minimize the thermal conductivity of nanomaterials. Herein we computationally
estimate the effect of total length and superlattice period ( lp ) on the thermal conductivity of graphene/
graphane superlattice nanoribbons using molecular dynamics simulation. The intrinsic thermal
conductivity ( ) is demonstrated to be dependent on lp . The of the superlattice, nanoribbons
decreased by approximately 96% and 88% compared to that of pristine graphene and graphane,
respectively. By modifying the overall length of the developed structure, we identified the ballisticdiffusive
transition regime at 120 nm. Further study of the superlattice periods yielded a minimal
thermal conductivity value of 144 W m−
1 k−
1 at lp = 3.4 nm. This superlattice characteristic is connected
to the phonon coherent length, specifically, the length of the turning point at which the wave-like
behavior of phonons starts to dominate the particle-like behavior. Our results highlight a roadmap for
thermal conductivity value control via appropriate adjustments of the superlattice period.
Description
Keywords
Type of access: Open Access, hydrogenated graphene superlattice nanoribbons, Heat transfer
Citation
Dehaghani, M. Z., Habibzadeh, S., Farzadian, O., Kostas, K. V., Saeb, M. R., Spitas, C., & Mashhadzadeh, A. H. (2022). Heat transfer through hydrogenated graphene superlattice nanoribbons: a computational study. Scientific Reports, 12(1). https://doi.org/10.1038/s41598-022-12168-7