Hydrogenation of silicene with tensile strains

Abstract

The energy barrier for hydrogenation of silicene decreases as the strains increase, and the barrier reduces from 1.71 to 0.24 eV when the strain reaches the critical value of 12%. In this way, the reaction time for the hydrogenation of silicene can accelerate significantly from 8.06 × 10¹⁶ to 1.68 × 10⁻⁸ s.