First-principles study of metal–insulator control by ion adsorption on Ti₂C MXene dioxide monolayers

• Yasunobu Ando

• Satoshi Watanabe

抄録

Through first-principles calculations using density functional theory, we investigate the possibility of controlling the metal–insulator properties of the Ti 2 C MXene dioxide Ti 2 CO 2 by ion adsorption. Our simulation reveals that Ti 2 CO 2 is insulating with an indirect band gap of 0.44 eV. Upon atomic adsorption of H, Li, or Na, Ti 2 CO 2 becomes metallic. This metal–insulator change may be used to produce switching devices with a high on/off ratio and low energy consumption by controlling ionic movement, as in ion batteries.

収録刊行物

• Applied Physics Express

  Applied Physics Express 9 (1), 015001-, 2015-12-07

  IOP Publishing

キーワード

• General Physics and Astronomy
• General Engineering

詳細情報

• CRID: 1360566399837897216
• NII論文ID: 210000137756
• DOI: 10.7567/apex.9.015001
• ISSN: 18820786
• ISSN: 18820778
• Web Site: https://iopscience.iop.org/article/10.7567/APEX.9.015001
• Web Site: https://iopscience.iop.org/article/10.7567/APEX.9.015001/pdf
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