期刊论文

Yu Lan<&wdkj&>Wei-Qing Huang

英文

Applied Surface Science

0169-4332

2022

602

154313

10.1016/j.apsusc.2022.154313

The authors would like to thank Dr. Ke Yang, Tao Huang, Yuan Si, and Ji-Chun Lian for helpful discussions. This work was supported by the Research Project of Education Department of Hunan Province (Grant No. 20 K017), the Key Laboratory of Optoelectronic Control and Detection Technology, University of Hunan Province, and Xinjiang Natural Science Foundation of China (Grant No. 2017D01A10 ).

本校为第一机构

Transition metal carbides, nitrides and carbonitrides (MXenes) are considered as multifunctional materials due to their various elemental composition possibilities, surface functional tunability, various magnetic orders, and large spin–orbit coupling. Herein, a novel Ti2CO2/Ti2CF2 heterostructure is designed and its electronic and interfacial properties are investigated based on first-principles calculations. Our results reveal that the band structures of Ti2CO2 and Ti2CF2 layers are well preserved in the heterostructure due to the van der Waa...