Electronic Nature Transition and Magnetism Creation in Vacancy-Defected Ti2CO2 MXene under Biaxial Strain: A DFTB + U Study
Author:
Affiliation:
1. Department of Physics, Faculty of Science, University of Ostrava, 701 03Ostrava, Czech Republic
Funder
Grantová Agentura Ceské Republiky
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c05037
Reference102 articles.
1. Effects of point defects on the magnetoelectronic structures of MXenes from first principles
2. Carbon vacancies in Ti2CT2MXenes: defects or a new opportunity?
3. M-Site Vacancy-Mediated Adsorption and Diffusion of Sodium on Ti2CO2 MXene
4. Intriguing of two-dimensional Janus surface-functionalized MXenes: An ab initio calculation
5. 2D metal carbides and nitrides (MXenes) for energy storage
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