Principles of melting in hybrid organic-inorganic perovskite and polymorphic ABX<sub>3</sub> structures.

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Authors
  Shaw, Bikash Kumar
Castillo-Blas, Celia
  Thorne, Michael F
Ríos Gómez, María Laura
Forrest, Tom
Lopez, Maria Diaz
  Chater, Philip A
Publication Date
2022-01-20
Journal Title
Chemical science
ISSN
2041-6520
Volume
13
Issue
7
Pages
2033-2042
Language
eng
Type
Article
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VoR
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Citation
Shaw, B. K., Castillo-Blas, C., Thorne, M. F., Ríos Gómez, M. L., Forrest, T., Lopez, M. D., Chater, P. A., et al. (2022). Principles of melting in hybrid organic-inorganic perovskite and polymorphic ABX<sub>3</sub> structures.. Chemical science, 13 (7), 2033-2042. https://doi.org/10.1039/d1sc07080k
Description
Funder: European Social Fund
Funder: University of Cambridge
Abstract
Four novel dicyanamide-containing hybrid organic-inorganic ABX<sub>3</sub> structures are reported, and the thermal behaviour of a series of nine perovskite and non-perovskite [AB(N(CN)<sub>2</sub>)<sub>3</sub>] (A = (C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N, (C<sub>4</sub>H<sub>9</sub>)<sub>4</sub>N, (C<sub>5</sub>H<sub>11</sub>)<sub>4</sub>N; 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 (C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N → (C<sub>4</sub>H<sub>9</sub>)<sub>4</sub>N → (C<sub>5</sub>H<sub>11</sub>)<sub>4</sub>N was observed to result in a decrease in <i>T</i> <sub>m</sub> through an increase in Δ<i>S</i> <sub>f</sub>. Consistent trends in <i>T</i> <sub>m</sub> 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.
Sponsorship
Royal Society (RG94426, UF150021)
Leverhulme Trust (RPG-2020-005)
Science and Engineering Research Board (NIF/R1/180163)
Identifiers
35308849, PMC8849004
External DOI: https://doi.org/10.1039/d1sc07080k
This record's URL: https://www.repository.cam.ac.uk/handle/1810/336300
Rights
Attribution 4.0 International
Licence URL: https://creativecommons.org/licenses/by/4.0/
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Attribution 4.0 International
Except where otherwise noted, this item's licence is described as Attribution 4.0 International