Xiao‐Hong Li

Exploring efficient Pd-based single-atom catalyst on Sc2CO2 MXene by strain engineering

MXenes have exhibited significant potential in energy storage and conversion technologies for their superior structural stability, rich active sites, and metallic conductivity. We investigated the structural stability and electrocatalytic activity of Pd-doped Sc 2 CO 2 MXene unde...

Achieving High-Efficient and Reversible Hydrogen Storage of the Sun-Graphyne Monolayers Near Room Temperature by Charge Modulation

Abstract To address the critical demand for high-performance hydrogen storage materials in the hydrogen economy, we systematically investigate the structural, electronic, and hydrogen storage performance of pure and charge-modulated Sun-graphyne (SGY) monolayers using first-princ...