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Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface
2009
Physical Chemistry, Chemical Physics - PCCP
Using density functional theory, we report detailed reaction path calculations for the reaction of acetone with the silicon (001) surface. We identify the key reaction intermediates of dissociative adsorption and the transition states between them. This resolves the identity of the one-dimer intermediate observed in STM experiments and its role in the formation of several two-dimer-wide end products of dissociation. Key to the understanding of the dissociation mechanism is the ambiphilic
doi:10.1039/b815542a
pmid:19421533
fatcat:m4gg36vv6vfxlm6hcyk7vqnkri