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Abstract:
The structural stability, electronic and optical properties of Rb-incorporated methylammonium lead halide perovskite (MAPbI(3)) were investigated by first-principles calculations. A high fraction of Rb+ incorporation can degrade the phase stability of MAPbI(3). Moreover, the band gap of Rb-doped MAPbI(3) exhibits slightly blueshifted. The optical absorption of Rb-doped MAPbI(3) is almost the same with that of the undoped MAPbI(3), 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.
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CHEMICAL PHYSICS LETTERS
ISSN: 0009-2614
Year: 2020
Volume: 743
2 . 8 0 0
JCR@2023
ESI Discipline: CHEMISTRY;
ESI HC Threshold:160
JCR Journal Grade:2
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 2
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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