Article ID Journal Published Year Pages File Type
610049 Journal of Colloid and Interface Science 2009 6 Pages PDF
Abstract
Alanine molecule on ZnO(101¯0) surface. Energy minimized structure of the most stable configuration: dissociatively adsorbed bidentate alanine on the surface. Structure is optimized using Car Parinello Molecular Dynamics (CPMD) as implemented by density functional theory.
Keywords
Related Topics
Physical Sciences and Engineering Chemical Engineering Colloid and Surface Chemistry
Preview
Probing the interaction of the amino acid alanine with the surface of ZnO(101¯0)
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