Theoretical Study of the Electronic and Optical Properties of a Heterostructure Based on PTCDA Organic Semiconductor and MoSe2

被引：4
|
作者：
Sukhanova, E., V [1 ,2 ]
Popov, Z., I [1 ,3 ]
Kvashnin, D. G. [1 ,4 ]
机构：
[1] Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
[2] Natl Res Univ, Moscow Inst Phys & Technol, Dolgoprudnyi 141701, Moscow Region, Russia
[3] Natl Univ Sci & Technol MISiS, Moscow 119049, Russia
[4] Plekhanov Russian Univ Econ, Sch Chem & Technol Polymer Mat, Moscow 117997, Russia
来源：
JETP LETTERS | 2020年 / 111卷 / 11期
基金：
俄罗斯科学基金会;
关键词：
TRANSITION-METAL DICHALCOGENIDE; TOTAL-ENERGY CALCULATIONS; HETEROJUNCTION; EPITAXY;
D O I：
10.1134/S0021364020110090
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The structural and physicochemical properties of the MoSe2/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, MoSe2/PTCDA heterostructures are promising for applications in electronics, optoelectronics, and materials for the utilization of solar energy.
引用
收藏
页码：627 / 632
页数：6
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