Journal of the American Chemical Society · 2018 · 234 citations · 44 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSolid State PhysicsSolid-state ChemistryCrystal ChemistryDensity Functional TheoryElectronic Band StructureInorganic MaterialsOptical Properties Of SolidsPerovskite MaterialsBand GapHalide PerovskitesOptical Band GapOptoelectronic PropertiesOrganic-inorganic Hybrid MaterialsOrganic-inorganic Hybrid PerovskitesPerovskite Crystal StructurePerovskite Semiconductors
(X = Cl, Br, I) system. The calculations suggest that 1 is a direct bandgap semiconductor with relatively small effective carrier mass along the in-plane direction, consistent with the experimentally observed in-plane UV-light photoresponse. We also demonstrate that 1 is promising for radiation detection capable of α-particle counting. Moreover, 1 shows markedly ambient and thermal stability.
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Generalized Gradient Approximation Made Simple
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