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author:

Ruan, Xinying (Ruan, Xinying.) [1] | Xiong, Rui (Xiong, Rui.) [2] | Cui, Zhou (Cui, Zhou.) [3] | Wen, Cuilian (Wen, Cuilian.) [4] | Ma, Jiang-Jiang (Ma, Jiang-Jiang.) [5] | Wang, Bao-Tian (Wang, Bao-Tian.) [6] | Sa, Baisheng (Sa, Baisheng.) [7]

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EI

Abstract:

Strain engineering has attracted extensive attention as a valid method to tune the physical and chemical properties of two-dimensional (2D) materials. Here, based on first-principles calculations and by solving the semi-classical Boltzmann transport equation, we reveal that the tensile strain can efficiently enhance the thermoelectric properties of the GeS2 monolayer. It is highlighted that the GeS2 monolayer has a suitable band gap of 1.50 eV to overcome the bipolar conduction effects in materials and can even maintain high stability under a 6% tensile strain. Interestingly, the band degeneracy in the GeS2 monolayer can be effectually regulated through strain, thus improving the power factor. Moreover, the lattice thermal conductivity can be reduced from 3.89 to 0.48 W/mK at room temperature under 6% strain. More importantly, the optimal ZT value for the GeS2 monolayer under 6% strain can reach 0.74 at room temperature and 0.92 at 700 K, which is twice its strain-free form. Our findings provide an exciting insight into regulating the thermoelectric performance of the GeS2 monolayer by strain engineering. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.

Keyword:

Boltzmann equation Calculations Energy gap Germanium compounds Monolayers Tensile strain Thermal conductivity Thermal Engineering Thermoelectric equipment Thermoelectricity

Community:

  • [ 1 ] [Ruan, Xinying]Key Laboratory of Eco-Materials Advanced Technology, College of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 2 ] [Xiong, Rui]Key Laboratory of Eco-Materials Advanced Technology, College of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 3 ] [Cui, Zhou]Key Laboratory of Eco-Materials Advanced Technology, College of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 4 ] [Wen, Cuilian]Key Laboratory of Eco-Materials Advanced Technology, College of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 5 ] [Ma, Jiang-Jiang]Institute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing; 100049, China
  • [ 6 ] [Ma, Jiang-Jiang]Spallation Neutron Source Science Center (SNSSC), Dongguan; 523803, China
  • [ 7 ] [Wang, Bao-Tian]Institute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing; 100049, China
  • [ 8 ] [Wang, Bao-Tian]Spallation Neutron Source Science Center (SNSSC), Dongguan; 523803, China
  • [ 9 ] [Wang, Bao-Tian]Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan; 030006, China
  • [ 10 ] [Sa, Baisheng]Key Laboratory of Eco-Materials Advanced Technology, College of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China

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Source :

Materials

Year: 2022

Issue: 11

Volume: 15

3 . 4

JCR@2022

3 . 1 0 0

JCR@2023

ESI HC Threshold:91

JCR Journal Grade:2

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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