Narrowing the Tolerance Factor Limits for Hybrid Organic-Inorganic Dicyanamide-Perovskites

García Ben, Javier; García-Fernández, Alberto; Dafonte Rodríguez, Pedro; Delgado Ferreiro, Ignacio; Cappel, Ute; Castro-García, Socorro; Sánchez-Andújar, Manuel; Bermúdez-García, Juan Manuel; Señarís-Rodríguez, M. A.

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http://hdl.handle.net/2183/32520

Narrowing the Tolerance Factor Limits for Hybrid Organic-Inorganic Dicyanamide-Perovskites

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GarciaBen_Javier_2022_Narrowing_tolerance_factor_limits_hybrid_organic_inorganic_dicyanamide_perovskites.pdf (2 MB)

Identifiers

URI: http://hdl.handle.net/2183/32520

DOI: 10.1016/j.jssc.2022.123635

Publication date

2022-10-11

Bibliographic 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)

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.