Narrowing the tolerance factor limits for hybrid organic-inorganic dicyanamide-perovskites Show others and affiliations
2022 (English) In: Journal of Solid State Chemistry, ISSN 0022-4596, E-ISSN 1095-726X, Vol. 316, p. 123635-, article id 123635Article in journal (Refereed) Published
Abstract [en]
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 alter-native, 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.
Place, publisher, year, edition, pages Elsevier BV , 2022. Vol. 316, p. 123635-, article id 123635
Keywords [en]
Hybrid organic-inorganic perovskites, Tolerance factor, Dicyanamide compounds, A-cation volume, Promolecule isosurface
National Category
Materials Chemistry
Identifiers URN: urn:nbn:se:kth:diva-321048 DOI: 10.1016/j.jssc.2022.123635 ISI: 000870529000014 Scopus ID: 2-s2.0-85139597485 OAI: oai:DiVA.org:kth-321048 DiVA, id: diva2:1708561
Note QC 20221104
2022-11-042022-11-042023-12-04 Bibliographically approved