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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2020, Volume 111, Issue 11, Pages 743–749
DOI: https://doi.org/10.31857/S123456782011004X (Mi jetpl6183) 		 
This article is cited in 3 scientific papers (total in 3 papers)

CONDENSED MATTER

Theoretical study of the electronic and optical properties of a heterostructure based on PTCDA organic semiconductor and MoSe$_2$

E. V. Sukhanovaab, Z. I. Popovac, D. G. Kvashninad

a Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, 119334 Russia
b Moscow Institute of Physics and Technology (National Research University), Dolgoprudny, Moscow region, 141701 Russia
c National University of Science and Technology MISiS, Moscow, 119049 Russia
d School of Chemistry and Technology of Polymer Materials, Plekhanov Russian University of Economics, Moscow, 117997 Russia
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DOI: https://doi.org/10.31857/S123456782011004X
Abstract: The structural and physicochemical properties of the MoSe$_2$/PTCDA heterostructure, which consists of two-dimensional inorganic and molecular organic semiconductors, have been studied theoretically. Features of change in the electronic properties of the PTCDA monomolecular layer on the MoSe$_2$ surface have been described by density functional theory. The quantitative analysis of charge transfer between the heterostructure components has explained the features of coupling between the layers. The study of the optical characteristics of the heterostructure has revealed the enhancement of the absorption spectrum in the infrared range. Consequently, MoSe$_2$/PTCDA heterostructures are promising for applications in electronics, optoelectronics, and materials for the utilization of solar energy.
Funding agency Grant number
Russian Science Foundation 18-73-10135
This work was supported by the Russian Science Foundation (project no. 18-73-10135).
Received: 09.04.2020
Revised: 21.04.2020
Accepted: 21.04.2020
English version:
Journal of Experimental and Theoretical Physics Letters, 2020, Volume 111, Issue 11, Pages 627–632
DOI: https://doi.org/10.1134/S0021364020110090
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: E. V. Sukhanova, Z. I. Popov, D. G. Kvashnin, “Theoretical study of the electronic and optical properties of a heterostructure based on PTCDA organic semiconductor and MoSe$_2$”, Pis'ma v Zh. Èksper. Teoret. Fiz., 111:11 (2020), 743–749; JETP Letters, 111:11 (2020), 627–632
Citation in format AMSBIB
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