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Communication: Coalescence of carbon atoms on Cu (111) surface: Emergence of a stable bridging-metal structure motif
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By combining first principles transition state location and molecular dynamics simulation, we unambiguously identify a carbon atom approaching induced bridging-metal structure formation on Cu (111) surface, which strongly modify the carbon atom coalescence dynamics. The emergence of such a new structural motif turns out to be a result of the subtle balance between Cu–C and Cu–Cu interactions. Based on this picture, a simple theoretical model is proposed, which describes a variety of surface chemistries very well.
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