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Optical properties and electronic structure of methylammonium iodocuprate as an X-ray scintillator

,  ,  ,  , 
Andrey Vitalievich Petrov 2
Andrey Vitalievich Petrov
, 
Alexey Yur'evich Seregin 3
Alexey Yur'evich Seregin
, 
Pavel Vladimirovich Dorovatovskii 3
Pavel Vladimirovich Dorovatovskii
, 
Eugene Alekseevich Goodilin 1, 4, 5
Eugene Alekseevich Goodilin
, 
Alexey Borisovich Tarasov 1, 4
Alexey Borisovich Tarasov
10.1016/j.mencom.2021.01.003
Published 2020-12-30
Communication , Volume 31, Issue 1, 14-16
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Petrov A. A. et al. Optical properties and electronic structure of methylammonium iodocuprate as an X-ray scintillator // Mendeleev Communications. 2020. Vol. 31. No. 1. pp. 14-16.
GOST all authors (up to 50) Copy
Petrov A. A., Fateev S. A., Grishko A. Y., Ordinartsev A. A., Petrov A. V., Seregin A. Y., Dorovatovskii P. V., Goodilin E. A., Tarasov A. B. Optical properties and electronic structure of methylammonium iodocuprate as an X-ray scintillator // Mendeleev Communications. 2020. Vol. 31. No. 1. pp. 14-16.
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TY - JOUR
DO - 10.1016/j.mencom.2021.01.003
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.003
TI - Optical properties and electronic structure of methylammonium iodocuprate as an X-ray scintillator
T2 - Mendeleev Communications
AU - Petrov, Andrey Andreevich
AU - Fateev, Sergey Anatol'evich
AU - Grishko, Aleksei Yuryevich
AU - Ordinartsev, Artem Alekseevich
AU - Petrov, Andrey Vitalievich
AU - Seregin, Alexey Yur'evich
AU - Dorovatovskii, Pavel Vladimirovich
AU - Goodilin, Eugene Alekseevich
AU - Tarasov, Alexey Borisovich
PY - 2020
DA - 2020/12/30
PB - Mendeleev Communications
SP - 14-16
IS - 1
VL - 31
ER -
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@article{2020_Petrov,
author = {Andrey Andreevich Petrov and Sergey Anatol'evich Fateev and Aleksei Yuryevich Grishko and Artem Alekseevich Ordinartsev and Andrey Vitalievich Petrov and Alexey Yur'evich Seregin and Pavel Vladimirovich Dorovatovskii and Eugene Alekseevich Goodilin and Alexey Borisovich Tarasov},
title = {Optical properties and electronic structure of methylammonium iodocuprate as an X-ray scintillator},
journal = {Mendeleev Communications},
year = {2020},
volume = {31},
publisher = {Mendeleev Communications},
month = {Dec},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.003},
number = {1},
pages = {14--16},
doi = {10.1016/j.mencom.2021.01.003}
}
MLA
Cite this
MLA Copy
Petrov, Andrey Andreevich, et al. “Optical properties and electronic structure of methylammonium iodocuprate as an X-ray scintillator.” Mendeleev Communications, vol. 31, no. 1, Dec. 2020, pp. 14-16. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.003.

Keywords

DFT
electronic structure
hybrid halide
iodocuprate
radioluminescence
scintillator
X-ray luminescence

Abstract

The optical and radioluminescent properties as well as the electronic structure of the recently discovered phase (MeNH3)Cu2I3 are reported for the first time. Single crystals of (MeNH3)Cu2I3 were obtained by crystallization from solution and demonstrated photoluminescence and radioluminescence at 100K. DFT analysis of both the electronic structure and the partial density of states revealed that (MeNH3)Cu2I3 has a direct bandgap.

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