期刊
ELECTROCHIMICA ACTA
卷 55, 期 28, 页码 8673-8679出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.electacta.2010.07.041
关键词
Sodium promoter; Platinum oxide surface; Ordered structure; DFT; Grand Canonical Monte Carlo simulations
资金
- PIP [11420090100066]
- CONICET [BID 1728/OC-AR PICT 06-946 PME 2006-1581]
- SECyT UNC Argentina
Grand Canonical Monte Carlo simulations were used to study the growth of a Na layer onto a O-p(2 x 2)-Pt(1 1 1) surface At the beginning of the deposition the film presents a disordered structure which becomes progressively ordered as the coverage increases due to the repulsive lateral interactions between the adsorbates We found some ordered structures like p(16 x 16) p(14 x 14) and p(12 x 12) which appears at coverages I lower than Theta similar to 0 007 in all these overlayers the Na adatoms are adsorbed on fcc-hollow sites of the oxide surface (C) 2010 Elsevier Ltd All rights reserved
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