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    Theoretical prediction of structural stability and superconductivity in Janus Ti2CSH MXene

    Jakkapat Seeyangnok* and Udomsilp Pinsook†

    • *Contact author: jakkapatjtp@gmail.com
    • †Contact author: Udomsilp.P@chula.ac.th

    Phys. Rev. B 113, 054510 – Published 12 February, 2026

    DOI: https://doi.org/10.1103/dxg1-bxj4

    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.

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