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author:

Qiu, Wen (Qiu, Wen.) [1] | Zhang, Caixia (Zhang, Caixia.) [2] (Scholars:张彩霞) | Cheng, Shuying (Cheng, Shuying.) [3] (Scholars:程树英) | Zheng, Qianying (Zheng, Qianying.) [4] (Scholars:郑茜颖) | Yu, Xue (Yu, Xue.) [5] | Jia, Hongjie (Jia, Hongjie.) [6] | Wu, Bo (Wu, Bo.) [7] (Scholars:吴波)

Indexed by:

EI Scopus SCIE

Abstract:

Sb2Se3-xSx is considered a promising absorber material for solar cell applications because of its tunable band gap. However, theoretical research on Sb2Se3-xSx is still limited. In this research, the crystal structure, electronic structure and photoelectric properties of Sb2Se3-xSx (x = 0, 0.125, 0.25, 0.5, 0.75) were determined using first-principles calculations based on density functional theory. The band gap is affected by the structural distortion and covalence of Sb2Se3-xSx with increasing S concentration. From x = 0 to x = 0.75, the covalence of Sb2Se3-xSx gradually increases. While for x = 0.125 and x = 0.25, the structural distortion are more severe than the others. Combining with the affects of both, the band gap decreases first and then increases with increasing S concentration. By calculating the carrier effective masses and optical characteristics of Sb2Se3-xSxS it can be found that Sb2Se3-xSx (x = 0.5) shows the optimized photoelectric properties. The results provide some guidance for the further development of Sb2Se3-xSx solar cells by adjusting band gap.

Keyword:

Effective mass First-principles Photoelectric properties Sb2Se3-xSx Tunable band gap

Community:

  • [ 1 ] [Qiu, Wen]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Zhang, Caixia]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Cheng, Shuying]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 4 ] [Zheng, Qianying]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 5 ] [Yu, Xue]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 6 ] [Jia, Hongjie]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 7 ] [Qiu, Wen]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China
  • [ 8 ] [Zhang, Caixia]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China
  • [ 9 ] [Cheng, Shuying]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China
  • [ 10 ] [Zheng, Qianying]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China
  • [ 11 ] [Yu, Xue]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China
  • [ 12 ] [Jia, Hongjie]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China
  • [ 13 ] [Zhang, Caixia]Jiangsu Collaborat Innovat Ctr Photovolat Sci & E, Changzhou 213164, Peoples R China
  • [ 14 ] [Cheng, Shuying]Jiangsu Collaborat Innovat Ctr Photovolat Sci & E, Changzhou 213164, Peoples R China
  • [ 15 ] [Wu, Bo]Fuzhou Univ, Coll Mat Sci & Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 16 ] [Wu, Bo]Fuzhou Univ, Key Lab Ecomat Adv Technol, Fuzhou 350108, Fujian, Peoples R China

Reprint 's Address:

  • 张彩霞 程树英

    [Zhang, Caixia]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China;;[Cheng, Shuying]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350108, Fujian, Peoples R China;;[Zhang, Caixia]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China;;[Cheng, Shuying]Fuzhou Univ, Inst Micronano Devices & Solar Cells, Fuzhou 350108, Fujian, Peoples R China

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Source :

JOURNAL OF SOLID STATE CHEMISTRY

ISSN: 0022-4596

Year: 2019

Volume: 271

Page: 339-345

2 . 7 2 6

JCR@2019

3 . 2 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

ESI HC Threshold:184

JCR Journal Grade:2

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count: 12

SCOPUS Cited Count: 11

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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