Article ID Journal Published Year Pages File Type
5454381 Journal of Nuclear Materials 2016 42 Pages PDF
Abstract
The electronic structures of AnO2 (An = U, Np, Pu) are studied computationally with hybrid density functional theory, and the geometries and energetics of water adsorption on the low index surfaces are presented.162
Related Topics
Physical Sciences and Engineering Energy Nuclear Energy and Engineering
Preview
Electronic structure of bulk AnO2 (An = U, Np, Pu) and water adsorption on the (111) and (110) surfaces of UO2 and PuO2 from hybrid density functional theory within the periodic electrostatic embedded cluster method
Authors
, , , ,