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Narrowing the Tolerance Factor Limits for Hybrid Organic-Inorganic Dicyanamide-Perovskites
dc.contributor.author | García Ben, Javier | |
dc.contributor.author | García-Fernández, Alberto | |
dc.contributor.author | Dafonte Rodríguez, Pedro | |
dc.contributor.author | Delgado Ferreiro, Ignacio | |
dc.contributor.author | Cappel, Ute | |
dc.contributor.author | Castro-García, Socorro | |
dc.contributor.author | Sánchez-Andújar, Manuel | |
dc.contributor.author | Bermúdez-García, Juan Manuel | |
dc.contributor.author | Señarís-Rodríguez, M. A. | |
dc.date.accessioned | 2023-02-16T20:25:51Z | |
dc.date.available | 2023-02-16T20:25:51Z | |
dc.date.issued | 2022-10-11 | |
dc.identifier.citation | Javier García-Ben, Alberto García-Fernández, Pedro Dafonte-Rodríguez, Ignacio Delgado-Ferreiro, Ute B. Cappel, Socorro Castro-García, Manuel Sánchez-Andújar, Juan Manuel Bermúdez-García, María Antonia Señarís-Rodríguez, Narrowing the tolerance factor limits for hybrid organic-inorganic dicyanamide-perovskites, Journal of Solid State Chemistry, Volume 316, 2022, 123635, ISSN 0022-4596, https://doi.org/10.1016/j.jssc.2022.123635. (https://www.sciencedirect.com/science/article/pii/S0022459622007605) | es_ES |
dc.identifier.issn | 0022-4596 | |
dc.identifier.uri | http://hdl.handle.net/2183/32520 | |
dc.description.abstract | [Abstract] In this work we focus in setting the limits of the tolerance factor and the size of the A-cations that stabilize the perovskite structure in hybrid dicyanamide compounds [A][Mn(dca)3]. For this purpose, we propose an alternative, simple approach to calculate a more realistic effective ionic radius for the large and anisotropic A-cations often present in these type of compounds. We test the proposed procedure by analysing the crystal structures of [A][Mn(dca)3] dicyanamide hybrids reported in the literature and recalculating the tolerance factors of such compounds, as well as by preparing five new [A][Mn(dca)3] members, discussing also the influence of the A-cation shape in the stability limits of the perovskite structure. Interestingly, such methodology is not only useful to develop new compounds of the emerging family of (multi)functional multi(stimuli)-responsive dicyanamide materials but can also be applied to other hybrid organic-inorganic perovskites and related materials. | es_ES |
dc.description.sponsorship | As for financial support, the authors thank Ministerio de Economía y Competitividad MINECO and EU-FEDER (projects MAT2017-86453-R and PDC2021-121076-I00), and Xunta de Galicia for the collaboration agreement “Development of research strategic actions Universidade da Coruña I + D + i 2021–2022: CICA-Disrupting Projects 2021SEM-A3 (NanoCool). J.G.-B. and J.M.B.-G. acknowledge Xunta de Galicia for Predoctoral and Postdoctoral Fellowships, respectively. I.D.-F thanks Ministerio de Universidades for a FPU Predoctoral Fellowship. A. G.-F. and U.B.C thank the Carl Tryggers foundation and the Göran Gustafsson foundation for financial support | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Elsevier | es_ES |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/MAT2017-86453-R/ES/MATERIALES HIBRIDOS ORGANICO-INORGANICOS PARA APLICACIONES DE REFRIGERACION ECOLOGICAS/ | es_ES |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PDC2021-121076-I00/ES/ | es_ES |
dc.relation.uri | https://doi.org/10.1016/j.jssc.2022.123635 | es_ES |
dc.rights | Atribución-NoComercial-SinDerivadas 4.0 Internacional | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Hybrid organic-inorganic perovskites | es_ES |
dc.subject | Tolerance factor | es_ES |
dc.subject | Dicyanamide compounds | es_ES |
dc.subject | A-cation volume | es_ES |
dc.subject | Promolecule isosurface | es_ES |
dc.title | Narrowing the Tolerance Factor Limits for Hybrid Organic-Inorganic Dicyanamide-Perovskites | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.access | info:eu-repo/semantics/openAccess | es_ES |
UDC.journalTitle | Journal of Solid State Chemistry | es_ES |
UDC.volume | 316 | es_ES |
UDC.issue | December 2022 | es_ES |
UDC.startPage | 123635 | es_ES |
dc.identifier.doi | 10.1016/j.jssc.2022.123635 |