In:
The Journal of Chemical Physics, AIP Publishing, Vol. 148, No. 12 ( 2018-03-28)
Abstract:
Sn-based hybrid halide perovskites are a potential solution to replace Pb and thereby reduce Pb toxicity in MAPbI3 perovskite-based solar cells. However, the instability of Sn2+ in air atmosphere causes a poor reproducibility of MASnI3, hindering steps towards this goal. In this paper, we propose a new type of organic metal-superhalide perovskite of MASnI2BH4 and MASnI2AlH4. Through first-principles calculations, our results reveal that the incorporation of BH4 and AlH4 superhalides can realize an impressive enhancement of oxidation resistance of Sn2+ in MASnI3 perovskites because of the large electron transfer between Sn2+ and [BH4]−/[AlH4] −. Meanwhile, the high carrier mobility is preserved in these superhalide perovskites and only a slight decrease is observed in the optical absorption strength. Our studies provide a new path to attain highly stable performance and reproducibility of Sn-based perovskite solar cells.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
2018
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
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