第35回表面科学学術講演会特集号 [III]
MXene酸化物Ti2CO2上への原子吸着による金属-絶縁体制御に関する理論研究
2016 年 37 巻 9 号 p. 441-445
詳細
2016 年 37 巻 9 号 p. 441-445
On the basis of first-principles calculations within the density functional theory, we report possibility of control of metal-insulator property by ion adsorption on Ti2C MXene dioxide, Ti2CO2. Our simulation reveals that Ti2CO2 is insulating with indirect band-gap of 0.44 eV, while atomic adsorption of any of H, Li, and Na onto it turned it to be metallic. This metal-insulator change may be applicable to switching devices with high on/off ratio and small energy consumption by controlling ionic movements like ion batteries.
