Principles of melting in hybrid organic-inorganic perovskite and polymorphic ABX3 structures.

Authors
Castillo-Blas, Celia 
Ríos Gómez, María Laura 
Forrest, Tom 

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Article
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Abstract

Four novel dicyanamide-containing hybrid organic-inorganic ABX3 structures are reported, and the thermal behaviour of a series of nine perovskite and non-perovskite [AB(N(CN)2)3] (A = (C3H7)4N, (C4H9)4N, (C5H11)4N; B = Co, Fe, Mn) is analyzed. Structure-property relationships are investigated by varying both A-site organic and B-site transition metal cations. In particular, increasing the size of the A-site cation from (C3H7)4N → (C4H9)4N → (C5H11)4N was observed to result in a decrease in T m through an increase in ΔS f. Consistent trends in T m with metal replacement are observed with each A-site cation, with Co < Fe < Mn. The majority of the melts formed were found to recrystallise partially upon cooling, though glasses could be formed through a small degree of organic linker decomposition. Total scattering methods are used to provide a greater understanding of the melting mechanism.

Publication Date
2022-02-16
Online Publication Date
2022-01-20
Acceptance Date
2022-01-18
Keywords
34 Chemical Sciences, 3406 Physical Chemistry
Journal Title
Chem Sci
Journal ISSN
2041-6520
2041-6539
Volume Title
13
Publisher
Royal Society of Chemistry (RSC)
Sponsorship
Royal Society (RG94426, UF150021)
Leverhulme Trust (RPG-2020-005)
Science and Engineering Research Board (NIF/R1/180163)