Ceria has recently shown intriguing hydrogenation reactivity in catalyzing alkyne selectively
to alkenes. However, the mechanism of the hydrogenation reaction, especially the activation …

Fast ionic conductors have considerable potential to enable technological development for
energy storage and conversion. Hydride (H−) ions are a unique species because of their …

Yttrium dihydride has been considered as potential nuclear reactor moderator for micro-
reactors operating in the thermal energy spectrum due to their ability to retain hydrogen to …

Ab initio calculation and data mining are very useful methods to predict the interrelationships
among structure properties. In this paper, the first-principles modelling based on the density …

Most of the physical properties of cubic structure compounds XH 2 (X= Ce, Pr, Tb, Ho) have
not yet been developed. This study aims to study their structure, elasticity, dynamics and …

The structural, electronic, elastic and magnetic properties of cerium, praseodymium and their
hydrides REH x (RE= Ce, Pr and x= 2, 3) were investigated by the first principles …

Pu can be loaded with H forming complicated continuous solid solutions and compounds,
and causing remarkable electronic and structural changes. Full potential linearized …

Ce can be loaded with H forming complicated continuous solid solution and compounds,
and causing remarkable electronic-structure changes. First-principles pseudopotential plane …

Different theoretical methods estimating the formation enthalpy for hydrides have been
adopted, among them the density functional theory (DFT) calculations. In this paper, an …

The lateral and penetrative growth velocities of cerium hydride reaction sites under 100
mbar of hydrogen at 30° C have been determined from a combination of in situ imaging and …