期刊论文

Chen, Xue-Kun

英文

JOURNAL OF PHYSICS-CONDENSED MATTER

0953-8984

2017

29

45

455702 (8pp)

10.1088/1361-648X/aa8c3e

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [11404110, 11674092]; Natural Science Foundation of Hunan ProvinceNatural Science Foundation of Hunan Province [2017JJ2062]; University of South China [2015XQD43, 2016XQD41]; State Key Laboratory of Low-Dimensional Quantum Physics

本校为第一且通讯机构

The thermal transport properties of graphyne are investigated via equilibrium molecular dynamics (EMD) simulations and non-equilibrium Green's function (NEGF) method. It is found that the room-temperature thermal conductivity of graphyne is 93% lower than that of graphene with a similar size and decreases steeply with increasing the number of acetylenic linkages, which agrees with the results obtained by NEGF method qualitatively. Lattice dynamics calculations reveal that these phenomena can be attributed to the reduction of both phonon group velocities and phonon lifetimes in graphyne at low-...