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20162025
most citedAtomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction

89 citations · 131 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2016★ 89 cited

Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction

Jingrui Li, Patrick Rinke

We have studied the prototype hybrid organic-inorganic perovskite CH3NH3PbI3 and its three close relatives, CH3NH3SnI3, CH3NH3PbCl3 and CsPbI3, using relativistic density function…