Enhancement of thermoelectric performance in graphenylene nanoribbons by suppressing phonon thermal conductance: the role of phonon local resonance

Cheng-Wei Wu; Wu-Xing Zhou; Guofeng Xie; Xue-Kun Chen; Dan Wu; Zhi-Qiang Fan

doi:10.1088/1361-6528/ac5288

Enhancement of thermoelectric performance in graphenylene nanoribbons by suppressing phonon thermal conductance: the role of phonon local resonance

Nanotechnology. 2022 Feb 28;33(21). doi: 10.1088/1361-6528/ac5288.

Authors

Cheng-Wei Wu¹, Wu-Xing Zhou¹, Guofeng Xie¹, Xue-Kun Chen², Dan Wu³, Zhi-Qiang Fan³

Affiliations

¹ School of Materials Science and Engineering & Hunan Provincial Key Laboratory of Advanced Materials for New Energy Storage and Conversion, Hunan University of Science and Technology, Xiangtan 411201, People's Republic of China.
² School of Mathematics and Physics, University of South China, Hengyang 421001, People's Republic of China.
³ Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114, People's Republic of China.

PMID: 35130521
DOI: 10.1088/1361-6528/ac5288

Abstract

Based on the method of non-equilibrium Green's function, we investigate the thermal transport and thermoelectric properties of graphenylene nanoribbons (GRNRs) with different width and chirality. The results show that the thermoelectric (TE) performance of GRNRs significantly increases with decreasing ribbon width, which stems from the reduction of thermal conductance. In addition, by changing the ribbon width and chirality, the figure of merit (ZT) can be controllably manipulated and maximized up to 0.45 at room temperature. Moreover, it is found that theZTvalue of GRNRs with branched structure can reach 1.8 at 300 K and 3.4 at 800 K owing to the phonon local resonance. Our findings here are of great importance for thermoelectric applications of GRNRs.

Keywords: NEGF; graphenylene nanoribbons; stub structure; thermoelectric.