Theoretical prediction of structural stability and superconductivity in Janus Ti2CSH MXene
Jakkapat Seeyangnok, Udomsilp Pinsook
DOI 10.1103/dxg1-bxj4 · Physical Review B
Active bibliographic source — not scientific approval
Bibliographic access preserves source history; it does not approve extracted materials or validate reported claims. Review warnings on each occurrence separately.
Abstract
We present a comprehensive first-principles investigation of the structural stability, vibrational characteristics, and superconducting properties of the Janus Ti2CSH monolayer. Janus MXene (JMXene) materials, such as Ti2CSH, have attracted significant attention because of their intrinsic two-dimensional structure and the absence of out-of-plane symmetry, which give rise to novel physical phenomena. Phonon calculations confirm the dynamical stability of the monolayer, while electronic structure and electron-phonon coupling analyses reveal a strong phonon-mediated pairing mechanism. Anisotropic Migdal-Eliashberg theory predicts a single-gap superconducting state, with gap values between 4.29 and 4.71 meV at 10 K and a critical temperature (Tc) of 22.6 K. These findings demonstrate that hydrogenation of Ti2CS2 into Ti2CSH significantly enhances superconductivity, thereby establishing Ti2CSH as a promising two-dimensional superconductor with potential applications in quantum and nanoscale technologies.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Ti2CSH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 22.6 | Pressure not reported | unknown |
| MoSH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 26.81 | Pressure not reported | unknown |
| TiSH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 13.09 | Pressure not reported | unknown |
| TiSeH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 30.19 | Pressure not reported | unknown |
| TiSH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 18.3 | Pressure not reported | unknown |
| TiSeH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 13.31 | Pressure not reported | unknown |
| TiTeH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9.04 | Pressure not reported | unknown |
Similar papers
Theoretical prediction of Structural Stability and Superconductivity in Janus Ti2CSH MXene
similarity 0.93Jakkapat Seeyangnok & Udomsilp Pinsook · 2025 · arXiv:2509.19907
Source status unknown — claims are unverified
Discovery of a robust non-Janus hybrid MoSH monolayer as a two-gap superconductor via high-throughput computational screening
similarity 0.93Zhijing Huang et al.
Source status unknown — claims are unverified
Machine learning accelerated discovery of superconducting two-dimensional Janus transition metal sulfhydrates
similarity 0.92Jingyu Li et al.
Source status unknown — claims are unverified
Two-gap superconductivity in a Janus MoSH monolayer
similarity 0.91Peng-Fei Liu et al.
Source status unknown — claims are unverified
Superconducting phase diagram and the evolution of electronic structure across charge density wave in underdoped 1T−CuδTiSe2 under hydrostatic pressure
similarity 0.89Shuxiang Xu et al.
Source status unknown — claims are unverified
Multiple electronic transitions and superconductivity in PdxTiSe2
similarity 0.89E. Morosan et al.
Source status unknown — claims are unverified