A. A. Petrov, S. A. Fateev, A. Yu. Grishko, A. A. Ordinartsev, A. V. Petrov, A. Yu. Seregin, P. V. Dorovatovskii, E. A. Goodilin, A. B. Tarasov, “Optical properties and electronic structure of methylammonium iodocuprate as an X-ray scintillator”, Mendeleev Commun., 31:1 (2021), 14

Эта публикация цитируется в 6 статьях

Communications

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

A. A. Petrov^a, S. A. Fateev^a, A. Yu. Grishko^a, A. A. Ordinartsev^a, A. V. Petrov^b, A. Yu. Seregin^c, P. V. Dorovatovskii^c, E. A. Goodilin^ade, A. B. Tarasov^ad

^a Department of Materials Science, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b Institute of Chemistry, St. Petersburg State University, St. Petersburg, Russian Federation
^c National Research Centre 'Kurchatov Institute', Moscow, Russian Federation
^d Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^e N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation

Аннотация: 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.

Ключевые слова: hybrid halide, iodocuprate, X-ray luminescence, radioluminescence, scintillator, DFT, electronic structure.

Язык публикации: английский

DOI: 10.1016/j.mencom.2021.01.003