Your browser doesn't support javascript.
loading
Thermal transport of graphene-C3B superlattices and van der Waals heterostructures: a molecular dynamics study.
Zhang, Guangzheng; Dong, Shilin; Wang, Xinyu; Xin, Gongming.
Afiliação
  • Zhang G; School of Energy and Power Engineering, Shandong University, Jinan 250061, People's Republic of China.
  • Dong S; School of Energy and Power Engineering, Shandong University, Jinan 250061, People's Republic of China.
  • Wang X; Institute of Thermal Science and Technology, Shandong University, Jinan 250061, People's Republic of China.
  • Xin G; School of Energy and Power Engineering, Shandong University, Jinan 250061, People's Republic of China.
Nanotechnology ; 35(5)2023 Nov 15.
Article em En | MEDLINE | ID: mdl-37879323
Two-dimensional (2D) materials have attracted more and more attention due to their excellent properties. In this work, we systematically explore the heat transport properties of Graphene-C3B (GRA-C3B) superlattices and van der Waals (vdW) heterostructures using molecular dynamics method. The effects of interface types and heat flow directions on the in-plane interfacial thermal resistance (ITRip) are analyzed. Obvious thermal rectification is detected in the more energy stable interface, GRA zigzag-C3B zigzag (ZZ) interface, which also has the minimum value of ITRip. The dependence of the superlattices thermal conductivity (k) of the ZZ interface on the period length (lp) is investigated. The results show that when thelpis 3.5 nm, thekreaches a minimum value of 35.52 W m-1K-1, indicating a transition stage from coherent phonon transport to incoherent phonon transport. Afterwards, the effects of system size, temperature, coupling strength and vacancy defect on the out-of-plane interfacial thermal resistance (ITRop) are evaluated. With the increase of temperature, coupling strength and vacancy defect, ITRopare found to reduce effectively due to the enhanced Umklapp phonon scattering and increased probability of energy transfer. Phonon density of states and phonon participation ratio is evaluated to reveal phonon behavior during heat transport. This work is expected to provide essential guidance for the thermal management of nanoelectronics based on 2D monolayer GRA and C3B.
Palavras-chave

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article