PHOTO-SWITCHABLE OPTICAL PROPERTY OF TWO-DIMENSIONAL TRANSITION METAL DICHALCOGENIDES

被引：0
|
作者：
Cunningham, Connor [1 ]
Pillai, Srajan [1 ]
You, Jeong Ho [1 ]
Ji, Jaehoon [2 ]
Choi, Jong Hyun [2 ]
机构：
[1] Univ St Thomas, Dept Mech Engn, St Paul, MN 55105 USA
[2] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA
来源：
PROCEEDINGS OF ASME 2023 INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION, IMECE2023, VOL 13 | 2023年
基金：
美国国家科学基金会;
关键词：
Transition metal dichalcogenides; two-dimensional monolayers; photochromic isomerization; density functional theory;
D O I：
暂无
中图分类号：
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号：
0807 ; 0820 ;
摘要：
Transition metal dichalcogenides (TMDCs) have received much attention for optoelectronic applications because of their band gap transition from indirect to direct as they decrease from multilayer to monolayer. Recent studies have experimented with the use of photochromic molecules to optically control the charge transport of two-dimensional (2D) TMDCs. In this work, a numerical study using density functional theory has been performed to test the possibility to control the optical property of 2D TMDC monolayers with various photochromic molecules. When the photochromic molecule's highest occupied molecular orbital (HOMO) or lowest unoccupied molecular orbital (LUMO) energy levels are within the band gap of 2D TMDC
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页数：6
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