Effect of rubidium incorporation on the structural, electronic and properties of MAPbI3 - Details

author：

Sa, Rongjian (Sa, Rongjian.) ^[1] | Liu, Ming (Liu, Ming.) ^[2] | Zha, Wenying (Zha, Wenying.) ^[3]

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Abstract：

The　structural　stability,　electronic　and　optical　properties　of　Rb-incorporated　methylammonium　lead　halide　perovskite　(MAPbI3)　were　investigated　by　first-principles　calculations.　A　high　fraction　of　Rb+　incorporation　can　degrade　the　phase　stability　of　MAPbI3.　Moreover,　the　band　gap　of　Rb-doped　MAPbI3　exhibits　slightly　blueshifted.　The　optical　absorption　of　Rb-doped　MAPbI3　is　almost　the　same　with　that　of　the　undoped　MAPbI3,　which　can　be　attributed　to　the　close　band　gaps　of　them.　Our　work　can　agree　well　with　existing　experimental　results.　Our　calculated　results　can　provide　a　basic　insight　into　the　mixed-cation　halide　perovskites　for　optoelectronic　applications.　©　2020

Keyword：

Calculations Electronic properties Energy gap Lead compounds Light absorption Optical properties Perovskite Rubidium compounds Stability

Community：

[ 1 ] [Sa, Rongjian]Institute of Oceanography, Minjiang University, Fuzhou; Fujian; 350108, China
[ 2 ] [Liu, Ming]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou; 350108, China
[ 3 ] [Zha, Wenying]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou; 350108, China

Reprint 's Address：

[sa, rongjian]institute of oceanography, minjiang university, fuzhou; fujian; 350108, china

Email：

rjsa@mju.edu.cn

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Source ：

Chemical Physics Letters

ISSN： 0009-2614

Year： 2020

Volume： 743

2 . 8 0 0

JCR@2023

ESI HC Threshold：160

JCR Journal Grade：2

CAS Journal Grade：4

Cited Count：

WoS CC Cited Count：

SCOPUS Cited Count： 2

ESI Highly Cited Papers on the List： 0 Unfold All

WanFang Cited Count：

Chinese Cited Count：

30 Days PV： 3

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