Hydrogenation and Doping Induced One-Dimensional High-Temperature Superconductivity in carbon Nanotube

Abstract In recent years, the research on superconductivity in one-dimensional (1D) materials has been attracting increasing attention due to its potential applications in low-dimensional nanodevices. However, the critical temperature ( T c ) of 1D superconductors is low. In this work, we theoretically investigate the possible high- T c superconductivity of (5,5) carbon nanotube (CNT). The pristine (5,5) CNT is a Dirac semimetal and can be modulated into a semiconductor by full hydrogenation. Interestingly, by further hole doping, it can be regulated into a metallic state with the sp 3 -hybridized σ electrons metalized, and a giant Kohn anomaly appears in the optical phonons. The two factors together enhance the electron–phonon coupling, and lead to high- T c superconductivity. When the hole doping concentration of hydrogenated-(5,5) CNT is 2.5 hole/cell, the calculated T c is 82.3 K, exceeding the boiling point of liquid nitrogen. Therefore, the predicted hole-doped hydrogenated-(5,5) CNT provides a new platform for 1D high- T c superconductivity and may have potential applications in 1D nanodevices.