期刊论文

Xie, Zhong-Xiang(xiezxhu@163.com)

英文

计算材料学(英文)

2057-3960

2023

220

112041

10.1016/j.commatsci.2023.112041

This work is supported by the National Natural Science Foundation of China (Grant No.12074115), the Key Research and Development Program of Hunan Province (Grant No. 2021GK2003), and the Natural Science Foundation of Hunan Province (Grant Nos. 2021JJ30202, 2021JJ30203, 2022JJ30222).

本校为其他机构

Intrinsic thermoelectric properties in biphenylene nanoribbons (BNRs) and effect of lattice defects are investigated by employing the nonequilibrium Green's function. A comparative analysis on intrinsic thermoelectric properties between graphene nanoribbons (GNRs) and BNRs is performed. Results show that although the Seebeck coefficient of BNRs is lower than that of the corresponding GNRs, BNRs exhibit better thermoelectric properties than the corresponding GNRs due to the lower phonon thermal conductance of BNRs. It is also shown that the latt...