Hydrogenation as a source of superconductivity in two-dimensional TiB2

Using first-principles calculations based on density functional perturbation theory, we demonstrate hydrogenation-induced superconductivity in monolayer TiB 2 H. Hydrogen adatoms destroy the Dirac state of monolayer TiB 2 and monolayer TiB 2 H has a high vibration frequency. Monolayer TiB 2 H is a phonon-mediated superconductor. Monolayer TiB 2 H has a predicted [Formula: see text] of 8[Formula: see text]K, which further increases under external tensile strain. Thus, this study extends our understanding of superconductivity in two-dimensional (2D) materials and its potential applications.