Energy & Environmental Science · 2015 · 1.6K citations · 57 references
EngineeringMaterials EngineeringMaterials ScienceInorganic ChemistryMaterials ChemistrySemiconductor MaterialsPerovskite MaterialsPhotovoltaic DevicesSemiconductor DefectsSemiconductor InterfacesSolar Cell MaterialsSolar CellsCharge ExtractionDefect MigrationDefect Migration BarriersElectronic Energy TransferIon MigrationOrganic-inorganic Hybrid PerovskitesPerovskite SemiconductorsPerovskite Solar Cells
Anion/cation vacancies located at different interfaces in perovskite solar cells may modify the electronic energy landscape, hampering charge extraction, and presumably contributing to the observed <italic>J–V</italic> hysteresis.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
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