Rational Atom Substitution to Obtain Efficient, Lead-Free Photocatalytic Perovskites Assisted by Machine Learning and DFT Calculations.

Li, Xuying; Mai, Haoxin; Lu, Junlin; Wen, Xiaoming; Le, Tu C; Russo, Salvy P; Winkler, David A; Chen, Dehong; Caruso, Rachel A

Li, Xuying; Mai, Haoxin; Lu, Junlin; Wen, Xiaoming; Le, Tu C; Russo, Salvy P; Winkler, David A; Chen, Dehong; Caruso, Rachel A.

Afiliação

Li X; Applied Chemistry and Environmental Science, School of Science, STEM College, RMIT University, Melbourne, Victoria 3000, Australia.
Mai H; Applied Chemistry and Environmental Science, School of Science, STEM College, RMIT University, Melbourne, Victoria 3000, Australia.
Lu J; School of Science, Computing and Engineering Technologies, Swinburne University of Technology, Hawthorn, Victoria 3122, Australia.
Wen X; Applied Chemistry and Environmental Science, School of Science, STEM College, RMIT University, Melbourne, Victoria 3000, Australia.
Le TC; School of Science, Computing and Engineering Technologies, Swinburne University of Technology, Hawthorn, Victoria 3122, Australia.
Russo SP; School of Engineering, STEM College, RMIT University, GPO Box 2476, Melbourne, Victoria 3001, Australia.
Winkler DA; ARC Centre of Excellence in Exciton Science, School of Science, RMIT University, Melbourne, Victoria 3000, Australia.
Chen D; Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria 3052, Australia.
Caruso RA; School of Biochemistry and Chemistry, La Trobe University, Kingsbury Drive, Bundoora, Victoria 3042, Australia.

Angew Chem Int Ed Engl ; 62(52): e202315002, 2023 Dec 21.

Article em En | MEDLINE | ID: mdl-37942716

Palavras-chave

Atom substitution; Density functional calculations; Inorganic halide double perovskites; Machine learning; Photocatalysis

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Austrália País de publicação: Alemanha

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