Data for: Candidate Replacements for Lead in CH3NH3PbI3 from First Principles Calculations
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资源简介：
Density functional theory calculations of the electronic structure and optical absorption for the orthorhombic phase of the hybrid organic-inorganic perovskites with various cation substitutions and for three different exchange-correlation functionals with and without including spin-orbit coupling interactions.
创建时间：
2018-08-25
