articleTop 1% cited
Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations
Journal of Materials Chemistry C · 2016 · Vol. 4(15) · pp. 3157–3167
Sabine Körbel✉(Institut Lumière Matière)Miguel A. L. Marques(European Theoretical Spectroscopy Facility)Silvana Botti✉(European Theoretical Spectroscopy Facility)
Abstract
<italic>Ab initio</italic> high-throughput materials screening of inorganic perovskites yields candidates for applications in photovoltaics, ferroelectrics, magnetoelectrics, and as transparent contacts.
Perovskite Materials and ApplicationsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of OxidesAb initioMaterials sciencePhotovoltaicsThroughputAb initio quantum chemistry methodsComputational chemistryElectronic structureStability (learning theory)Chemical physicsNanotechnology
Funding
- Imperial College London
- Agence Nationale de la Recherche
- Leibniz-Rechenzentrum
Citations
337
FWCI
15.29
field-weighted impact
References
58
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99%
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References
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Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
Inorganic Chemistry · 2013 · 5,283 citations
Linear optical properties in the projector-augmented wave methodology
Physical Review B · 2006 · 3,322 citations
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Journal of the American Chemical Society · 2009 · 22,193 citations
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