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cond-mat.mtrl-sci2006
Spontaneous Formation of Dipolar Metal Nanoclusters
Elizabeth A. Sokol, Sara E. Mason, Valentino R. Cooper +1
The adsorption of Ag and Ag clusters on the -AlO(0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-su…
cond-mat.mtrl-sci2006
Orbital-Specific Modeling of CO Chemisorption
Sara E. Mason, Ilya Grinberg, Andrew M. Rappe
We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbita…