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Relative distance from the center of mass – A new structural descriptor linking the structure of organic cations with inorganic framework distortions in layered hybrid halide perovskites

Ekaterina Igorevna Marchenko 1, 2
Ekaterina Igorevna Marchenko
,  ,  , 
Pavel Andreevich Ivlev 1
Pavel Andreevich Ivlev
, 
Eugene Alekseevich Goodilin 1, 3
Eugene Alekseevich Goodilin
, 
Alexey Borisovich Tarasov 1, 3
Alexey Borisovich Tarasov
10.1016/j.mencom.2022.05.007
Published 2022-04-29
Communication , Volume 32, Issue 3, 315-316
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Marchenko E. I. et al. Relative distance from the center of mass – A new structural descriptor linking the structure of organic cations with inorganic framework distortions in layered hybrid halide perovskites // Mendeleev Communications. 2022. Vol. 32. No. 3. pp. 315-316.
GOST all authors (up to 50) Copy
Marchenko E. I., Fateev S. A., Ordinartsev A. A., Ivlev P. A., Goodilin E. A., Tarasov A. B. Relative distance from the center of mass – A new structural descriptor linking the structure of organic cations with inorganic framework distortions in layered hybrid halide perovskites // Mendeleev Communications. 2022. Vol. 32. No. 3. pp. 315-316.
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TY - JOUR
DO - 10.1016/j.mencom.2022.05.007
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.05.007
TI - Relative distance from the center of mass – A new structural descriptor linking the structure of organic cations with inorganic framework distortions in layered hybrid halide perovskites
T2 - Mendeleev Communications
AU - Marchenko, Ekaterina Igorevna
AU - Fateev, Sergey Anatol'evich
AU - Ordinartsev, Artem Alekseevich
AU - Ivlev, Pavel Andreevich
AU - Goodilin, Eugene Alekseevich
AU - Tarasov, Alexey Borisovich
PY - 2022
DA - 2022/04/29
PB - Mendeleev Communications
SP - 315-316
IS - 3
VL - 32
ER -
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@article{2022_Marchenko,
author = {Ekaterina Igorevna Marchenko and Sergey Anatol'evich Fateev and Artem Alekseevich Ordinartsev and Pavel Andreevich Ivlev and Eugene Alekseevich Goodilin and Alexey Borisovich Tarasov},
title = {Relative distance from the center of mass – A new structural descriptor linking the structure of organic cations with inorganic framework distortions in layered hybrid halide perovskites},
journal = {Mendeleev Communications},
year = {2022},
volume = {32},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.05.007},
number = {3},
pages = {315--316},
doi = {10.1016/j.mencom.2022.05.007}
}
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Marchenko, Ekaterina Igorevna, et al. “Relative distance from the center of mass – A new structural descriptor linking the structure of organic cations with inorganic framework distortions in layered hybrid halide perovskites.” Mendeleev Communications, vol. 32, no. 3, Apr. 2022, pp. 315-316. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2022.05.007.

Keywords

composition–structure–property relationships
crystal chemistry
hybrid perovskites
lattice distortions
layered structures

Abstract

The rational design of layered hybrid lead halide perovskites (LHHPs) for photovoltaics is still difficult due to complex relationships between structural parameters and functional properties. We propose to consider the Relative Distance from the Center of Mass (RDCM) of a void in the inorganic framework to the center of positive charge of the organic cation as a new structural descriptor that makes it possible to clarify the dependence of the geometry of the inorganic framework on the structure of interlayer organic cations, which have a significant effect on the optoelectronic characteristics of LHHPs.

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