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Tuning the Optical Absorption of Sn-, Ge-, and Zn-Substituted Cs2AgBiBr6 Double Perovskites: Structural and Electronic Effects

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Tuning the Optical Absorption of Sn-, Ge-, and Zn-Substituted Cs2AgBiBr6 Double Perovskites: Structural and Electronic Effects

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dc.contributor.author	Sebastia-Luna, Paz
dc.contributor.author	Calbo Roig, Joaquín
dc.contributor.author	Albiach-Sebastián, Nicolás
dc.contributor.author	Sessolo, Michele
dc.contributor.author	Palazón Huet, Francisco
dc.contributor.author	Ortí Guillén, Enrique
dc.contributor.author	Bolink, Henk
dc.date.accessioned	2022-03-25T13:56:08Z
dc.date.available	2022-03-25T13:56:08Z
dc.date.issued	2021
dc.identifier.citation	Sebastia-Luna, Paz Calbo Roig, Joaquín Albiach-Sebastián, Nicolás Sessolo, Michele Palazón Huet, Francisco Ortí Guillén, Enrique Bolink, Henk 2021 Tuning the Optical Absorption of Sn-, Ge-, and Zn-Substituted Cs2AgBiBr6 Double Perovskites: Structural and Electronic Effects Chemistry of Materials 33 20 8028 8035
dc.identifier.uri	https://hdl.handle.net/10550/82041
dc.description.abstract	Lead-free halide double perovskites (DPs) are highly tunable materials in terms of chemical composition and optical properties. One of the most widely reported DPs is Cs2AgBiBr6, which is envisaged as a promising absorber for photovoltaics. Nevertheless, its bandgap (around 1.9−2.3 eV) remains too large for common tandem solar cells. In this work, we report the mechanochemical synthesis of Sn-, Ge-, and Zn-substituted Cs2AgBiBr6 in powder form; their bandgaps reach 1.55, 1.80, and 2.02 eV, respectively. These differences are rationalized through density functional theory calculations, demonstrating combined electronic and structural (disorder) effects introduced by the divalent metal-cation substituents. Finally, we present the first vacuum-deposited thin films of the Sn-substituted DP, which also show a notable narrowing of the bandgap, and this paves the way toward its implementation in photovoltaic solar cells.
dc.language.iso	eng
dc.relation.ispartof	Chemistry of Materials, 2021, vol. 33, num. 20, p. 8028-8035
dc.subject	Materials
dc.subject	Cèl·lules fotoelèctriques
dc.title	Tuning the Optical Absorption of Sn-, Ge-, and Zn-Substituted Cs2AgBiBr6 Double Perovskites: Structural and Electronic Effects
dc.type	journal article	es_ES
dc.date.updated	2022-03-25T13:56:09Z
dc.identifier.doi	10.1021/acs.chemmater.1c02236
dc.identifier.idgrec	148601
dc.rights.accessRights	open access	es_ES