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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] (Scholars:温翠莲) | Ma, Jiang-Jiang (Ma, Jiang-Jiang.) [5] | Wang, Bao-Tian (Wang, Bao-Tian.) [6] | Sa, Baisheng (Sa, Baisheng.) [7] (Scholars:萨百晟)

Indexed by:

EI SCIE

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.

Keyword:

first-principles calculations GeS2 monolayer strain engineering thermal conductivity thermoelectric materials

Community:

  • [ 1 ] [Ruan, Xinying]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Peoples R China
  • [ 2 ] [Xiong, Rui]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Peoples R China
  • [ 3 ] [Cui, Zhou]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Peoples R China
  • [ 4 ] [Wen, Cuilian]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Peoples R China
  • [ 5 ] [Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350100, Peoples R China
  • [ 6 ] [Ma, Jiang-Jiang]Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
  • [ 7 ] [Wang, Bao-Tian]Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
  • [ 8 ] [Ma, Jiang-Jiang]Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China
  • [ 9 ] [Wang, Bao-Tian]Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China
  • [ 10 ] [Wang, Bao-Tian]Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Peoples R China

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Source :

MATERIALS

ISSN: 1996-1944

Year: 2022

Issue: 11

Volume: 15

3 . 4

JCR@2022

3 . 1 0 0

JCR@2023

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:91

JCR Journal Grade:2

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count: 6

SCOPUS Cited Count: 2

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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