Thermochemical Study of CH3NH3Pb(Cl1−xBrx)3 Solid Solutions
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Thermochemical Study of CH3NH3Pb(Cl1−xBrx)3 Solid Solutions
|
|
| Автор |
Mazurin, M.
Shelestova, A. Tsvetkov, D. Sereda, V. Ivanov, I. Malyshkin, D. Zuev, A. |
|
| Тематика |
MIXED HALIDE PEROVSKITES
MIXING ENTHALPY MOLECULAR DYNAMICS THERMOCHEMISTRY ENTHALPY FREE ENERGY GIBBS FREE ENERGY HYBRID MATERIALS HYDROGEN BONDS MIXING OPTOELECTRONIC DEVICES PEROVSKITE PHASE SEPARATION SOLID SOLUTIONS ATMOSPHERIC MOISTURE ATMOSPHERIC OXYGEN HALIDE PEROVSKITES HYBRID ORGANIC-INORGANIC MIXED HALIDE PEROVSKITE MIXING ENTHALPY OPTOELECTRONICS DEVICES STABILITY ISSUES THERMOCHEMICALS THERMODYNAMICS PROPERTY MOLECULAR DYNAMICS |
|
| Описание |
Hybrid organic–inorganic perovskite halides, and, in particular, their mixed halide solid solutions, belong to a broad class of materials which appear promising for a wide range of potential applications in various optoelectronic devices. However, these materials are notorious for their stability issues, including their sensitivity to atmospheric oxygen and moisture as well as phase separation under illumination. The thermodynamic properties, such as enthalpy, entropy, and Gibbs free energy of mixing, of perovskite halide solid solutions are strongly required to shed some light on their stability. Herein, we report the results of an experimental thermochemical study of the CH3NH3Pb(Cl1−xBrx)3 mixed halides by solution calorimetry. Combining these results with molecular dynamics simulation revealed the complex and irregular shape of the compositional dependence of the mixing enthalpy to be the result of a complex interplay between the local lattice strain, hydrogen bonds, and energetics of these solid solutions. © 2022 by the authors.
Ministry of Education and Science of the Russian Federation, Minobrnauka Ural Federal University, UrFU The research funding from the Ministry of Science and Higher Education of the Russian Federation (Ural Federal University project within the Priority-2030 Program) is gratefully acknowledged. |
|
| Дата |
2024-04-08T11:06:05Z
2024-04-08T11:06:05Z 2022 |
|
| Тип |
Article
Journal article (info:eu-repo/semantics/article) Published version (info:eu-repo/semantics/publishedVersion) |
|
| Идентификатор |
Mazurin, M, Shelestova, A, Tsvetkov, D, Sereda, V, Ivanov, I, Malyshkin, D & Zuev, A 2022, 'Thermochemical Study of CH3NH3Pb(Cl1−xBrx)3 Solid Solutions', Materials, Том. 15, № 21, 7675. https://doi.org/10.3390/ma15217675
Mazurin, M., Shelestova, A., Tsvetkov, D., Sereda, V., Ivanov, I., Malyshkin, D., & Zuev, A. (2022). Thermochemical Study of CH3NH3Pb(Cl1−xBrx)3 Solid Solutions. Materials, 15(21), [7675]. https://doi.org/10.3390/ma15217675 1996-1944 Final All Open Access; Gold Open Access; Green Open Access https://www.mdpi.com/1996-1944/15/21/7675/pdf?version=1667885046 https://www.mdpi.com/1996-1944/15/21/7675/pdf?version=1667885046 http://elar.urfu.ru/handle/10995/131274 10.3390/ma15217675 85141828820 000883161800001 |
|
| Язык |
en
|
|
| Права |
Open access (info:eu-repo/semantics/openAccess)
cc-by https://creativecommons.org/licenses/by/4.0/ |
|
| Формат |
application/pdf
|
|
| Издатель |
MDPI
|
|
| Источник |
Materials
Materials |
|