The oxide layer structure over Pu is the central issue of Pu corrosion science; however, the
widely discussed sandwich-like structure (Pu//Pu 2 O 3//PuO 2) might be just a …

Density functional theory (DFT)+ U combined with the first principle atomistic thermodynamic
method was employed to study the physical properties of intrinsic oxygen defects in (1 1 1) …

As impurities are virtually impossible to exclude from Pu oxides in realistic environments,
understanding the roles of impurities is crucial for the applications and designs of Pu oxides …

Oxidation state is a key chemical quantity that allows the understanding and prediction of the
majority of chemical reactions; however, the main deficiency using the formal oxidation state …

The polarons induced by interactions between excess charges and lattice distortions play an
important role in surface chemical reactivity of actual oxides. The impacts of electron and …

The magnetic order of plutonium hydrides (PuH x) has long been a subject of controversy,
both experimentally and theoretically. The magnetic, structural, electronic, and …

As the plutonium (Pu) oxides are the crucial issue of the Pu surface and corrosion science
and some impurities like hydrogen (H) are virtually impossible to exclude from them in …

Oxidation state (OS) is one of the most important concepts in chemistry and, the challenging
task is how to rigorously determine the OS of multivalent solid ions of which uranium is the …

The interface is a region in the crystal that significantly changes various characteristics.
There must be an interface between oxides of different valence states in the surface oxide …

Uranium (U) has attracted considerable fundamental and applied studies; among them, the
rigorous determination of its chemical state is one of the crucial topics owing to its well …