Article ID Journal Published Year Pages File Type
1560748 Computational Materials Science 2014 8 Pages PDF
Abstract
The most stable configurations for a water molecule adsorbed on stoichiometric UO2 (1 1 1) surface by GGA and GGA + U.
Keywords
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Preview
Adsorption of water on UO2 (1 1 1) surface: Density functional theory calculations
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