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 ∼1.40 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 1.84 eV from indirect band gap of 2.96 eV of Sc2CO2. Attractively, the direct band gap of ScNbCO2 of ∼1.40 eV is further attained by stain effect. Especially, an increase of ∼20 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.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
