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Theoretical assessment of chloride ion influence on grain growth of hybrid perovskites

Ekaterina Igorevna Marchenko 1, 2
Ekaterina Igorevna Marchenko
, 
Nikolay Andreevich Belich 1
Nikolay Andreevich Belich
, 
Anastasia Voislavovna Iosimovska 2
Anastasia Voislavovna Iosimovska
, 
Vladimir Alekseevich Misyutin 1
Vladimir Alekseevich Misyutin
, 
Eugene Alekseevich Goodilin 1, 3
Eugene Alekseevich Goodilin
, 
Alexey Borisovich Tarasov 1, 3
Alexey Borisovich Tarasov
1 Department of Materials Science, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
2 Department of Geology, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
3 Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
10.1016/j.mencom.2024.04.004
Published 2024-04-22
Communication , Volume 34, Issue 3, 321-324
4
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Marchenko E. I. et al. Theoretical assessment of chloride ion influence on grain growth of hybrid perovskites // Mendeleev Communications. 2024. Vol. 34. No. 3. pp. 321-324.
GOST all authors (up to 50) Copy
Marchenko E. I., Belich N. A., Iosimovska A. V., Misyutin V. A., Goodilin E. A., Tarasov A. B. Theoretical assessment of chloride ion influence on grain growth of hybrid perovskites // Mendeleev Communications. 2024. Vol. 34. No. 3. pp. 321-324.
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TY - JOUR
DO - 10.1016/j.mencom.2024.04.004
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.04.004
TI - Theoretical assessment of chloride ion influence on grain growth of hybrid perovskites
T2 - Mendeleev Communications
AU - Marchenko, Ekaterina Igorevna
AU - Belich, Nikolay Andreevich
AU - Iosimovska, Anastasia Voislavovna
AU - Misyutin, Vladimir Alekseevich
AU - Goodilin, Eugene Alekseevich
AU - Tarasov, Alexey Borisovich
PY - 2024
DA - 2024/04/22
PB - Mendeleev Communications
SP - 321-324
IS - 3
VL - 34
ER -
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@article{2024_Marchenko,
author = {Ekaterina Igorevna Marchenko and Nikolay Andreevich Belich and Anastasia Voislavovna Iosimovska and Vladimir Alekseevich Misyutin and Eugene Alekseevich Goodilin and Alexey Borisovich Tarasov},
title = {Theoretical assessment of chloride ion influence on grain growth of hybrid perovskites},
journal = {Mendeleev Communications},
year = {2024},
volume = {34},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.04.004},
number = {3},
pages = {321--324},
doi = {10.1016/j.mencom.2024.04.004}
}
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Marchenko, Ekaterina Igorevna, et al. “Theoretical assessment of chloride ion influence on grain growth of hybrid perovskites.” Mendeleev Communications, vol. 34, no. 3, Apr. 2024, pp. 321-324. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.04.004.

Keywords

chloride ion additives
grain boundaries
hybrid perovskites
interfaces.
phase transition energy
polytypes
thermodynamic stability

Abstract

Theoretical assessment of Cl-excessive, mixed-halide grain boundaries in hybrid perovskite thin films demonstrates that ordered 3D/2D interfaces along perovskite (100) crystallographic planes are the most energetically favored among other possible cases.

References

.
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
Kojima A., Teshima K., Shirai Y., Miyasaka T.
Journal of the American Chemical Society, 2009
.
New compounds of the K2NIF4type
Ruddlesden S.N., Popper P.
Acta Crystallographica, 1957
.
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Jain A., Ong S.P., Hautier G., Chen W., Richards W.D., Dacek S., Cholia S., Gunter D., Skinner D., Ceder G., Persson K.A.
APL Materials, 2013
.
Light and oxygen induced degradation limits the operational stability of methylammonium lead triiodide perovskite solar cells
Bryant D., Aristidou N., Pont S., Sanchez-Molina I., Chotchunangatchaval T., Wheeler S., Durrant J.R., Haque S.A.
Energy and Environmental Science, 2016
.
The General Utility Lattice Program (GULP)
Gale J.D., Rohl A.L.
Molecular Simulation, 2003
.
Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells
Yi C., Luo J., Meloni S., Boziki A., Ashari-Astani N., Grätzel C., Zakeeruddin S.M., Röthlisberger U., Grätzel M.
Energy and Environmental Science, 2016
.
A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells
McMeekin D.P., Sadoughi G., Rehman W., Eperon G.E., Saliba M., Hörantner M.T., Haghighirad A., Sakai N., Korte L., Rech B., Johnston M.B., Herz L.M., Snaith H.J.
Science, 2016
.
Mixed-Organic-Cation Perovskite Photovoltaics for Enhanced Solar-Light Harvesting
Pellet N., Gao P., Gregori G., Yang T., Nazeeruddin M.K., Maier J., Grätzel M.
Angewandte Chemie - International Edition, 2014
.
Compositional engineering of perovskite materials for high-performance solar cells
Jeon N.J., Noh J.H., Yang W.S., Kim Y.C., Ryu S., Seo J., Seok S.I.
Nature, 2015
.
Low-temperature solution-processed wavelength-tunable perovskites for lasing.
Xing G., Mathews N., Lim S.S., Yantara N., Liu X., Sabba D., Grätzel M., Mhaisalkar S., Sum T.C.
Nature Materials, 2014
.
Perovskite-based photodetectors: materials and devices.
Wang H., Kim D.H.
Chemical Society Reviews, 2017
.
Promises and challenges of perovskite solar cells
Correa-Baena J., Saliba M., Buonassisi T., Grätzel M., Abate A., Tress W., Hagfeldt A.
Science, 2017
.
MAPbI3-xClx Mixed Halide Perovskite for Hybrid Solar Cells: The Role of Chloride as Dopant on the Transport and Structural Properties
Colella S., Mosconi E., Fedeli P., Listorti A., Gazza F., Orlandi F., Ferro P., Besagni T., Rizzo A., Calestani G., Gigli G., De Angelis F., Mosca R.
Chemistry of Materials, 2013
.
Cs2PbI2Cl2, All-Inorganic Two-Dimensional Ruddlesden-Popper Mixed Halide Perovskite with Optoelectronic Response.
Li J., Yu Q., He Y., Stoumpos C.C., Niu G., Trimarchi G.G., Guo H., Dong G., Wang D., Wang L., Kanatzidis M.G.
Journal of the American Chemical Society, 2018
.
Organometal halide perovskite solar cells: degradation and stability
Berhe T.A., Su W., Chen C., Pan C., Cheng J., Chen H., Tsai M., Chen L., Dubale A.A., Hwang B.
Energy and Environmental Science, 2016
.
Photovoltaic mixed-cation lead mixed-halide perovskites: links between crystallinity, photo-stability and electronic properties
Rehman W., McMeekin D.P., Patel J.B., Milot R.L., Johnston M.B., Snaith H.J., Herz L.M.
Energy and Environmental Science, 2017
.
Marchenko E.I., Fateev S.A., Petrov A.A., Goodilin E.A., Tarasov A.B.
Mendeleev Communications, 2020
.
Efficient, stable solar cells by using inherent bandgap of α-phase formamidinium lead iodide
Min H., Kim M., Lee S., Kim H., Kim G., Choi K., Lee J.H., Seok S.I.
Science, 2019
.
Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells.
Jeong J., Kim M., Seo J., Lu H., Ahlawat P., Mishra A., Yang Y., Hope M.A., Eickemeyer F.T., Kim M., Yoon Y.J., Choi I.W., Darwich B.P., Choi S.J., Jo Y., et. al.
Nature, 2021
.
Cs+ incorporation into CH3NH3PbI3 perovskite: substitution limit and stability enhancement
Niemann R.G., Gouda L., Hu J., Tirosh S., Gottesman R., Cameron P.J., Zaban A.
Journal of Materials Chemistry A, 2016
.
Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles
Seijas-Bellido J.A., Samanta B., Valadez-Villalobos K., Gallardo J.J., Navas J., Balestra S.R., Madero Castro R.M., Vicent-Luna J.M., Tao S., Toroker M.C., Anta J.A.
Journal of Chemical Information and Modeling, 2022
.
Structure-related bandgap of hybrid lead halide perovskites and close-packed APbX3 family of phases
Marchenko E.I., Fateev S.A., Korolev V.V., Buchinskiy V.V., Eremin N.N., Goodilin E.A., Tarasov A.
Journal of Materials Chemistry C, 2022
.
Transformation from crystalline precursor to perovskite in PbCl2-derived MAPbI3
Stone K.H., Gold-Parker A., Pool V.L., Unger E.L., Bowring A.R., McGehee M.D., Toney M.F., Tassone C.J.
Nature Communications, 2018
.
Methylammonium Chloride Induces Intermediate Phase Stabilization for Efficient Perovskite Solar Cells
Kim M., Kim G., Lee T.K., Choi I.W., Choi H.W., Jo Y., Yoon Y.J., Kim J.W., Lee J., Huh D., Lee H., Kwak S.K., Kim J.Y., Kim D.S.
Joule, 2019
.
Out-of-plane cations homogenise perovskite composition for solar cells
Liang Z., Zhang Y., Xu H., Chen W., Liu B., Zhang J., Zhang H., Wang Z., Kang D., Zeng J., Gao X., Wang Q., Hu H., Zhou H., Cai X., et. al.
Nature, 2023