The crystal structure, electronic structure and photoelectric properties of a novel solar cells absorber material Sb 2 Se 3−x S x - Details

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Abstract：

Sb　2　Se　3−x　S　x　is　considered　a　promising　absorber　material　for　solar　cell　applications　because　of　its　tunable　band　gap.　However,　theoretical　research　on　Sb　2　Se　3−x　S　x　is　still　limited.　In　this　research,　the　crystal　structure,　electronic　structure　and　photoelectric　properties　of　Sb　2　Se　3−x　S　x　(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　Sb　2　Se　3−x　S　x　with　increasing　S　concentration.　From　x=0　to　x=0.75,　the　covalence　of　Sb　2　Se　3−x　S　x　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　Sb　2　Se　3−x　S　x　,　it　can　be　found　that　Sb　2　Se　3−x　S　x　(x=0.5)　shows　the　optimized　photoelectric　properties.　The　results　provide　some　guidance　for　the　further　development　of　Sb　2　Se　3−x　S　x　solar　cells　by　adjusting　band　gap.　©　2019　Elsevier　Inc.

Keyword：

Effective mass; First-principles; Photoelectric properties; Sb 2 Se 3−x S x; Tunable band gap

Community：

[ 1 ] [Qiu, W.]College of Physics and Information Engineering, Institute of Micro-Nano Devices and Solar Cells, Fuzhou University, Fuzhou, 350108, China
[ 2 ] [Zhang, C.]College of Physics and Information Engineering, Institute of Micro-Nano Devices and Solar Cells, Fuzhou University, Fuzhou, 350108, China
[ 3 ] [Zhang, C.]Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou, 213164, China
[ 4 ] [Cheng, S.]College of Physics and Information Engineering, Institute of Micro-Nano Devices and Solar Cells, Fuzhou University, Fuzhou, 350108, China
[ 5 ] [Cheng, S.]Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou, 213164, China
[ 6 ] [Zheng, Q.]College of Physics and Information Engineering, Institute of Micro-Nano Devices and Solar Cells, Fuzhou University, Fuzhou, 350108, China
[ 7 ] [Yu, X.]College of Physics and Information Engineering, Institute of Micro-Nano Devices and Solar Cells, Fuzhou University, Fuzhou, 350108, China
[ 8 ] [Jia, H.]College of Physics and Information Engineering, Institute of Micro-Nano Devices and Solar Cells, Fuzhou University, Fuzhou, 350108, China
[ 9 ] [Wu, B.]College of Materials Science and Engineering, Key Laboratory of Eco-materials Advanced Technology, Fuzhou University, Fuzhou, 350108, China

Reprint 's Address：

[Zhang, C.]College of Physics and Information Engineering, Institute of Micro-Nano Devices and Solar Cells, Fuzhou UniversityChina

Email：

zhangcx@fzu.edu.cn

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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 HC Threshold：184

JCR Journal Grade：2

CAS Journal Grade：3

Cited Count：

WoS CC Cited Count：

SCOPUS Cited Count： 13

ESI Highly Cited Papers on the List： 0 Unfold All

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Chinese Cited Count：

30 Days PV： 0

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