Influence of hydrogen functionalization on thermal conductivity of graphene: Nonequilibrium molecular dynamics simulations

被引：127

作者：

Chien, Shih-Kai ^{[1
]}

Yang, Yue-Tzu ^{[1
]}

Chen, Cha'o-Kuang ^{[1
]}

机构：

[1] Natl Cheng Kung Univ, Dept Mech Engn, Tainan 70101, Taiwan

来源：

APPLIED PHYSICS LETTERS | 2011年 / 98卷 / 03期

关键词：

NANORIBBONS; CARBON;

D O I：

10.1063/1.3543622

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The influence of hydrogen coverage on the thermal conductivity of typical armchair hydrogen functionalized graphene is investigated using a nonequilibrium molecular dynamics simulation. We also study the effects of easy-rotation of unsupported sp(3) bonds. We find that the system exhibits a rapid drop in thermal conductivity with hydrogen coverage, where hydrogen coverage down to as little as 2.5% of the graphene carbon atoms reduces the thermal conductivity by about 40%. The simulation results indicate that the effect is due to a reduction in the phonon mean free path. (c) 2011 American Institute of Physics. [doi:10.1063/1.3543622]

引用

页数：3

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