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Theoretical assessment of thermodynamic stability of 2D octane-1,8-diammonium lead halide perovskites

Ekaterina Igorevna Marchenko 1, 2
Ekaterina Igorevna Marchenko
,  ,  , 
Eugene Alekseevich Goodilin 2, 3
Eugene Alekseevich Goodilin
, 
Alexey Borisovich Tarasov 2, 3
Alexey Borisovich Tarasov
10.1016/j.mencom.2020.05.005
Published 2020-04-30
Communication , Volume 30, Issue 3, 279-281
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Marchenko E. I. et al. Theoretical assessment of thermodynamic stability of 2D octane-1,8-diammonium lead halide perovskites // Mendeleev Communications. 2020. Vol. 30. No. 3. pp. 279-281.
GOST all authors (up to 50) Copy
Marchenko E. I., Fateev S. A., Petrov A. A., Goodilin E. A., Tarasov A. B. Theoretical assessment of thermodynamic stability of 2D octane-1,8-diammonium lead halide perovskites // Mendeleev Communications. 2020. Vol. 30. No. 3. pp. 279-281.
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TY - JOUR
DO - 10.1016/j.mencom.2020.05.005
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.05.005
TI - Theoretical assessment of thermodynamic stability of 2D octane-1,8-diammonium lead halide perovskites
T2 - Mendeleev Communications
AU - Marchenko, Ekaterina Igorevna
AU - Fateev, Sergey Anatol'evich
AU - Petrov, Andrey Andreevich
AU - Goodilin, Eugene Alekseevich
AU - Tarasov, Alexey Borisovich
PY - 2020
DA - 2020/04/30
PB - Mendeleev Communications
SP - 279-281
IS - 3
VL - 30
ER -
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@article{2020_Marchenko,
author = {Ekaterina Igorevna Marchenko and Sergey Anatol'evich Fateev and Andrey Andreevich Petrov and Eugene Alekseevich Goodilin and Alexey Borisovich Tarasov},
title = {Theoretical assessment of thermodynamic stability of 2D octane-1,8-diammonium lead halide perovskites},
journal = {Mendeleev Communications},
year = {2020},
volume = {30},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.05.005},
number = {3},
pages = {279--281},
doi = {10.1016/j.mencom.2020.05.005}
}
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Marchenko, Ekaterina Igorevna, et al. “Theoretical assessment of thermodynamic stability of 2D octane-1,8-diammonium lead halide perovskites.” Mendeleev Communications, vol. 30, no. 3, Apr. 2020, pp. 279-281. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.05.005.

Keywords

2D network
computer simulation
layered structure
perovskites
thermodynamics

Abstract

Two-dimensional (2D) lead halide perovskites are promising materials for photovoltaics due to a combination of excellent functional properties and improved stability as compared to their 3D analogues. A thermodynamic stability of the 2D octane-1,8-diammonium-based perovskites containing one to four layers has been assessed using a semi-empirical approach. Revealed values of the standard enthalpy of formation are essentially negative, while the dependence of enthalpy on the number of layers is not linear, so the perovskites with the even number of layers seem to be much more stable due to the features of their crystal and local structures.

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