Yongliang Yong

Charge modulation-driven high-performance reversible hydrogen storage of Be4C3 monolayers near room temperature: A first-principles study

The hydrogen storage capabilities of the (modulated) Be 4 C 3 monolayers have been systematically investigated using first-principles calculations. The Be 4 C 3 monolayer exhibits high gravimetric capacities of 14.29 wt%, but the H 2 adsorption energy is too weak, which motivates...

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...