External Electric Field-Induced the Modulation of the Band Gap and Quantum Capacitance of F-Functionalized Two-Dimensional Sc₂C.

ABSTRACT: The modulation of electronic properties and quantum capacitance of Sc₂CF₂ under a perpendicular external E-field was investigated using density functional calculations for the potential application of nanoelectronics and nanophotonics. Sc₂CF₂ has an indirect band gap of 0.959 eV without an E-field. Furthermore, it undergoes a semiconducting-metallic transition under a positive E-field and a semiconductor-insulator transition under a negative E-field. The application of the negative E-field makes Sc₂CF₂ have an indirect band gap. Sc-d, F-p, and C-p states are mainly responsible for the significant variation of the band gap. Sc₂CF₂ under an external E-field always keeps the character of a cathode material

SUBMITTER: Yin SH 

PROVIDER: S-EPMC10413470 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature