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Heat transfer through hydrogenated graphene superlattice nanoribbons: a computational study

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...

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Detalles Bibliográficos
Autores principales: Dehaghani, Maryam Zarghami, Habibzadeh, Sajjad, Farzadian, Omid, Kostas, Konstantinos V., Saeb, Mohammad Reza, Spitas, Christos, Mashhadzadeh, Amin Hamed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9106750/
https://www.ncbi.nlm.nih.gov/pubmed/35562417
http://dx.doi.org/10.1038/s41598-022-12168-7
Descripción
Sumario: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 ([Formula: see text] ) on the thermal conductivity of graphene/graphane superlattice nanoribbons using molecular dynamics simulation. The intrinsic thermal conductivity ([Formula: see text] ) is demonstrated to be dependent on [Formula: see text] . The [Formula: see text] 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 ballistic-diffusive 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 [Formula: see text]  = 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.