• Complex
  • Title
  • Keyword
  • Abstract
  • Scholars
  • Journal
  • ISSN
  • Conference
成果搜索

author:

Sa, Rongjian (Sa, Rongjian.) [1] | Zha, Wenying (Zha, Wenying.) [2] | Yuan, Rusheng (Yuan, Rusheng.) [3] (Scholars:员汝胜) | Chen, Jianming (Chen, Jianming.) [4]

Indexed by:

EI Scopus SCIE

Abstract:

Organic-inorganic hybrid perovskites have attracted extensive attention as promising photovoltiac materials for high-efficiency solar cells. In this study, strain effects on the material properties of Ge-based perovskites are fully investigated by the first-principles calculations. The results indicate that the structural, mechanical, electronic and optical properties of CH3NH3GeX3 (X = Cl, Br, I) are sensitive to external modulations. The band gaps of three Ge-based halide perovskites are well predicted by using the HSE06 functional. By increasing the compressive strain, the band gaps of three compounds decrease. A suitable band gap (1.36 eV) of CH3NH3GeI3 can be obtained under a strain of -3%. Moreover, the calculated elastic constants further imply that this compound is stable under this condition. The relationship between the band gap variation and geometry change under the compressive strain is revealed. These results are useful for understanding the effects of strain on the material properties of semiconductors and guiding the experiments to improve photovoltaic performance of Ge-based perovskites. (c) 2019 Elsevier B.V. All rights reserved.

Keyword:

Band structure Elastic constant MAGeX3 Optical properties Strain

Community:

  • [ 1 ] [Sa, Rongjian]Minjiang Univ, Inst Oceanog, Fujian Key Lab Funct Marine Sensing Mat, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Chen, Jianming]Minjiang Univ, Inst Oceanog, Fujian Key Lab Funct Marine Sensing Mat, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Zha, Wenying]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China
  • [ 4 ] [Yuan, Rusheng]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China

Reprint 's Address:

  • 员汝胜

    [Chen, Jianming]Minjiang Univ, Inst Oceanog, Fujian Key Lab Funct Marine Sensing Mat, Fuzhou 350108, Fujian, Peoples R China;;[Yuan, Rusheng]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China

Show more details

Related Keywords:

Source :

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

ISSN: 1386-1425

Year: 2020

Volume: 229

4 . 0 9 8

JCR@2020

4 . 3 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

ESI HC Threshold:160

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 13

SCOPUS Cited Count: 15

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

Online/Total:238/9711091
Address:FZU Library(No.2 Xuyuan Road, Fuzhou, Fujian, PRC Post Code:350116) Contact Us:0591-22865326
Copyright:FZU Library Technical Support:Beijing Aegean Software Co., Ltd. 闽ICP备05005463号-1