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Missing row reconstructed (110), (211) and (311) surfaces for FCC transition metals
Author(s) -
Zhang JianMin,
Li HongYan,
Xu KeWei
Publication year - 2007
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.2574
Subject(s) - surface reconstruction , transition metal , atom (system on chip) , surface (topology) , valence (chemistry) , crystallography , materials science , ideal (ethics) , chemistry , valence electron , electron , condensed matter physics , physics , geometry , catalysis , mathematics , quantum mechanics , computer science , biochemistry , philosophy , organic chemistry , epistemology , embedded system
Abstract Modified embedded atom method (MEAM) has been used to ascertain the change in the surface energy density of (1 × 2) missing row (MR) reconstruction from initial (1 × 1) ideal (110), (211) and (311) surfaces for seven FCC transition metals Au, Pt, Ag, Pd, Rh, Cu and Ni. The results show that the MR reconstruction can be formed naturally on the Au (110), Pt (110) and Pt (311) surfaces and are better than calculated results of the embedded atom method (EAM) while comparing with experimental results. In addition to the surface energy explanation, the results are also explained in terms of the valence electron structure and surface topography. Copyright © 2007 John Wiley & Sons, Ltd.