2019-08-28
Surface Adsorption and Catalysis
Catalysts play a vital role in human activities, chemical industries and may be the unique way to deal with current energy and environmental crisis[1]. Scientists have been working on the design of novel catalysts with high efficiency at low cost, high selectivity and high stability. However, the pr ...
2015-10-01
Hydrogen Storage Interface, Strain, Material Design
We have studied hydrogen adsorption on the Mg(0001) surface under biaxial strain, using density-functional theory calculations. A phase diagram is obtained for an intuitive sense of how the strain and hydrogen chemical potential affect the structural stabilities of Mg-H system.During the hydrogenati ...