정용재
2016-10-26T02:42:16Z
2016-10-26T02:42:16Z
2015-04
ACS APPLIED MATERIALS & INTERFACES, v. 7, NO 13, Page. 7163-7169
1944-8244
1944-8252
http://pubs.acs.org/doi/abs/10.1021/acsami.5b00063
http://hdl.handle.net/20.500.11754/23936
In the present work, type I, II, and III heterostructures are constructed with the same base material using three representative functionalized monolayer scandium carbides (Sc2CF2, Sc2C(OH)(2), and Sc2CO2) by first-principles calculations based on density functional theory. In contrast to general bilayer heterosystems composed of two-dimensional semiconductors, type I and III heterojunctions are obtained in one Sc2CF2/Sc2CO2 system and the remains of the functionalized Sc2C heterostructures, respectively. It is noteworthy that the same monolayer Sc2CF2 and Sc2CO2 constituents lead to dissimilar heterostructure types in the two Sc2CF2/Sc2CO2 systems by modifying the stacking interface. In addition, in the two Sc2CF2/Sc2CO2 systems, remarkable changes in the heterojunction type are induced by a strain, and two distinct type-II heterostructures are generated where one layer with the conduction band minimum state and the other layer including the valence band maximum level are different. The present work suggests an attractive direction to obtain all heterostructure types with the same base material for novel nanodevices in various fields such as photonics, electronics, and optoelectronics using only the two monolayer components Sc2CF2 and Sc2CO2.
This research was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (2013R1A1A2A10064432).
en
AMER CHEMICAL SOC
MXene
heterostructure
two-dimensional material
semiconductor
DFT
Achieving Type I, II, and III Heterojunctions Using Functionalized MXene
Article
13
7
10.1021/acsami.5b00063
7163-7169
ACS APPLIED MATERIALS & INTERFACES
Lee, Youngbin
Hwang, Yubin
Chung, Yong-Chae
2015001547
S
COLLEGE OF ENGINEERING[S]
DIVISION OF MATERIALS SCIENCE AND ENGINEERING
yongchae