Physics – Condensed Matter – Materials Science
Scientific paper
2010-05-28
J. Chem. Phys. 133, 071101 (2010)
Physics
Condensed Matter
Materials Science
Scientific paper
10.1063/1.3473045
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 this 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.
Hou Jian Guo
Li Zhenyu
Wu Patrick
Yang * Jinlong
Zhang Wenhua
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