0000000000124433

AUTHOR

Alessandro Senocrate

showing 3 related works from this author

First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystals

2020

We thank R. Merkle for numerous fruitful discussions and G. Siegle for experimental assistance. This study was partly supported by the M-ERA-NET project SunToChem (EK). Calculations were performed using computational facilities of St. Petersburg State University and Max Planck Institute for Solid State Research. Open Access funding provided by the Max Planck Society.

Materials scienceGeneral Physics and AstronomyHalideTrimer02 engineering and technologyElectronic structure010402 general chemistry021001 nanoscience & nanotechnologyAlkali metal01 natural sciencesHeat capacitySymmetry (physics)0104 chemical sciencesHybrid functionalChemical physics:NATURAL SCIENCES:Physics [Research Subject Categories]Density functional theoryPhysical and Theoretical Chemistry0210 nano-technology
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First-principles calculations of iodine-related point defects in CsPbI3

2019

Many thanks to A. Lushchik, A. Popov and R. Merkle for numerous fruitful discussions. This study was partly supported by the Latvian Council for Science (grant LZP-2018/1-0147 to EK). R.A.E acknowledges the assistance of the University Computer Center of Saint-Petersburg State University for high-performance computations.

Materials scienceBand gapGeneral Physics and Astronomy02 engineering and technologyElectron holeElectronic structurehole010402 general chemistrymigration7. Clean energy01 natural sciencesMolecular physicsinterstitial-oxygenhalide perovskites:NATURAL SCIENCES:Physics [Research Subject Categories]creationPhysical and Theoretical Chemistrydiffusionmethylammonium lead iodide021001 nanoscience & nanotechnologyAlkali metalCrystallographic defectcenters0104 chemical sciencesHybrid functionalFrenkel defectsimulations0210 nano-technologyion conductionExcitation
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On the Way to Optoionics

2020

Discussions with Michael Grätzel, Ursula Röthlisberger, Robert A. Evarestov and Bettina V. Lotsch are gratefully acknowledged.

materials scienceChemistryOrganic Chemistry:NATURAL SCIENCES::Physics [Research Subject Categories]Nanotechnologyoptoionics02 engineering and technologysolid state ionics010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesBiochemistryCatalysis0104 chemical sciencesInorganic ChemistrySolid state ionicslead halide perovskitesDrug Discoveryion conductivityPhysical and Theoretical Chemistry0210 nano-technologyphotoelectrochemical devicesHelvetica Chimica Acta
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