Alkyl group functionalization-induced phonon thermal conductivity attenuation in graphene nanoribbons*

Project supported by the National Natural Science Foundation of China (Grant No. 11504418), China Scholarship Council Scholarship Program (Grant No. 201706425053), and the Fundamental Research Funds for the Central Universities of China (Grant No. 2015XKMS075).

Wang Caiyun1, Lu Shuang2, Yu Xiaodong2, Li Haipeng2, 3, ‡
       

The calculated phonon thermal conductivity of the functionalized ZGNR as functions of (a) alkyl carbon atom number (n) for monofunctionalization and (b) functionalization concentration (ρ) of methyl group, compared with the pristine ZGNR. Here, the studied ZGNR measured 16 nm in length and 4 nm in width.