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Light-induced halide segregation in perovskites with wrinkled morphology

Journal of Energy Chemistry 2022年第8期31卷 83-88,I0003页

作者： Eduardo g.Machado Paulo E.Marchezi Eralci M.Therézio JoséCarlos germino Rodrigo Szostak Caique Sde Brito yara g.gobato Ernesto C.Pereira Michael F.Toney Raphael Nagao Ana Flávia Nogueira Institute of Chemistry University of CampinasCampinas 13083-970 SPBrazil Center for Innovation on New Energies University of CampinasCampinas 13083-970SPBrazil Institute of Physics Federal University of Mato GrossoCuiaba 78060-900MTBrazil Department of Physics Federal University of Sao CarlosSao Carlos 13565-905SPBrazil Department of Physics and i3N–Institute for Nanostructures Nanomodulation and NanofabricationUniversity of AveiroAveiro 3810-193Portugal Department of Chemistry Federal University of Sao CarlosSao Carlos 13565-905SPBrazil Renewable and Sustainable Energy Institute(RASEI) University of Colorado BoulderBoulder CO 80309ColoradoUnited States of America

In this work, it is proposed that, upon light incidence, a halide segregation event takes place, where iodine anions move towards the hills of a wrinkled mixed-halide perovskite.

关键词： halide perovskite iodine

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Photoluminescence emissions of Ca_(1-x)WO_(4):xEu^(3+):Bridging between experiment and DFT calculations

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Journal of Rare Earths 2022年第10期40卷 1527-1534页

作者： Amanda Fernandes gouveia Marcelo Assis Lara Kelly Ribeiro Aline Estefany Brandao Lima Eduardo de Oliveira gomes Daniele Souza yara gobato galvao Ieda Lucia Viana Rosa geraldo Eduardo da Luz Jr Eva guillamón Elson Longo Juan Andrés Miguel Angel San-Miguel Department of Physical and Analytical Chemistry University Jaume I(UJI)12071CastelloSpain Institute of Chemistry State University of Campinas(Unicamp)13083-970CampinasSPBrazil CDMF Federal University of S?o Carlos(UFSCar)P0.Box 67613565-905Sao CarlosSao PauloBrazil Departamento de Química Federal University of Piauí(UFPI)64049-550TeresinaPiautBrazil Physics Department Federal University of S?o Carlos(UFSCar)P.0.Box 67613565-905Sao CarlosSao PauloBrazil

In this work,the impact of the doping process on the photoluminescence emission of CaWO_(4) as a function of the concentration of Eu^(3+) cation(0.01 mol%,0.02 mol%,0.04 mol%,0.06 mol%,0.08 mol%,and 0.10 mol%) is discussed in ***_(1-x)WO~4:xEu^(3+) samples were successfully synthesized by a simple coprecipitation method followed by microwave *** blue shift in the absorption edge confirms the quantum confinement effect and the band gap energy covers the range from 3.91 to 4.18 eV,as the amount of Eu^(3+) cations *** experimental results are sustained by first-principles calculations,at the density functional theory level,to decipher the geometry and electronic properties,thereby enabling a more accurate and direct comparison between theory and experiment for the Ca_(1-x)WO_(4):xEu^(3+) structure.

关键词： Ca_(1-x)WO_(4):xEu^(3+) DFT calculations Photoluminescence emissions Rare earths

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