ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning

The Duffy's model is reformulated for Sb 3+ and Bi 3+ in cubic chloro- and bromoelpasolites with « 0D » perovskite structure. The new equation allows calculating the energy of the first s 2 → s 1 p 1 electron transition from crystal structure data. The Stokes shift pertaining to the Sb 3+ emiss...

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Autor principal:	Philippe Boutinaud
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	Antimony Double halide perovskite Nephelauxetic function Stokes shift Applied optics. Photonics TA1501-1820 Optics. Light QC350-467
Acceso en línea:	https://doaj.org/article/d45b8f28e24e42c4ab510a5c4590c238
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spelling	oai:doaj.org-article:d45b8f28e24e42c4ab510a5c4590c2382021-11-20T05:13:15ZERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning2590-147810.1016/j.omx.2021.100109https://doaj.org/article/d45b8f28e24e42c4ab510a5c4590c2382021-12-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2590147821000383https://doaj.org/toc/2590-1478The Duffy's model is reformulated for Sb 3+ and Bi 3+ in cubic chloro- and bromoelpasolites with « 0D » perovskite structure. The new equation allows calculating the energy of the first s 2 → s 1 p 1 electron transition from crystal structure data. The Stokes shift pertaining to the Sb 3+ emission in Cs 2 B I M III Cl 6 double perovskites is rationalized based on Waber-Cromer orbital radii, in the approximation of the symmetrically breathing quasi-molecular (SbCl 6) 3- octahedron. This constitutes a preliminary structure-property descriptor to be implemented in machine learning algorithms for further computer-assisted design of double halide perovskites doped with Sb 3+Philippe BoutinaudElsevierarticleAntimonyDouble halide perovskiteNephelauxetic functionStokes shiftApplied optics. PhotonicsTA1501-1820Optics. LightQC350-467ENOptical Materials: X, Vol 12, Iss , Pp 100109- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Antimony Double halide perovskite Nephelauxetic function Stokes shift Applied optics. Photonics TA1501-1820 Optics. Light QC350-467
spellingShingle	Antimony Double halide perovskite Nephelauxetic function Stokes shift Applied optics. Photonics TA1501-1820 Optics. Light QC350-467 Philippe Boutinaud ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning
description	The Duffy's model is reformulated for Sb 3+ and Bi 3+ in cubic chloro- and bromoelpasolites with « 0D » perovskite structure. The new equation allows calculating the energy of the first s 2 → s 1 p 1 electron transition from crystal structure data. The Stokes shift pertaining to the Sb 3+ emission in Cs 2 B I M III Cl 6 double perovskites is rationalized based on Waber-Cromer orbital radii, in the approximation of the symmetrically breathing quasi-molecular (SbCl 6) 3- octahedron. This constitutes a preliminary structure-property descriptor to be implemented in machine learning algorithms for further computer-assisted design of double halide perovskites doped with Sb 3+
format	article
author	Philippe Boutinaud
author_facet	Philippe Boutinaud
author_sort	Philippe Boutinaud
title	ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning
title_short	ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning
title_full	ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning
title_fullStr	ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning
title_full_unstemmed	ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning
title_sort	erratum: revisiting duffy's model for sb3+ and bi3+ in double halide perovskites: emergence of a descriptor for machine learning
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/d45b8f28e24e42c4ab510a5c4590c238
work_keys_str_mv	AT philippeboutinaud erratumrevisitingduffysmodelforsb3andbi3indoublehalideperovskitesemergenceofadescriptorformachinelearning
_version_	1718419570701631488

ERRATUM: Revisiting Duffy's model for Sb3+ and Bi3+ in double halide perovskites: Emergence of a descriptor for machine learning

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