Interface properties of CsPbBr3/CsPbI3 perovskite heterostructure for solar cell
Physica B: Condensed Matter（2022）
Abstract
We explore the interface properties of perovskite heterostructure CsPbBr3/CsPbI3 through first-principles calculations. The structural interface is formed by the bonding of Cs-Br and Cs-I with bond length of ∼4.106 and 3.922 Å. The upshift of Goldsmith tolerance factor in the range 0.8More
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Key words
Perovskite solar cells,CsPbBr3,CsPbI3,Interface,First-principles calculation
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