Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5460492 | Journal of Alloys and Compounds | 2017 | 8 Pages |
Abstract
Two-dimensional MXene materials with proper direct-band gap are especially desirable for photoelectric applications. Herein a new scandium-based carbide MXene (ScNbCO2) with direct band gap of â¼1.40Â eV has been predicted by doping Nb transition metal and strain in terms of density-functional theory. The Nb-doping changes into direct band gap of 1.84Â eV from indirect band gap of 2.96Â eV of Sc2CO2. Attractively, the direct band gap of ScNbCO2 of â¼1.40Â eV is further attained by stain effect. Especially, an increase of â¼20 times is achieved in the case of 3% uniaxial ScNbCO2. It reveals that these metal-doping MXene materials are promising to develop new light-electron conversion components.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Jianxin Guo, Yong Sun, Baozhong Liu, Qingrui Zhang, Qiuming Peng,