Comparative study of dehydrogenation of
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Yasuharu Okamoto; Osamu Sugino; Yuji Mochizuki; Tamio Ikeshoji; Yoshitada Morika
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Article
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2003
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Elsevier Science
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English
โ 288 KB
The dehydrogenation of methanol on Pt(1 1 1)/water and Pt(1 1 1)/vacuum interfaces was investigated by using ab initio theoretical calculations. Possible reactive intermediate structures were optimized, and energetically favorable reaction pathways were traced at these two interfaces. When all produ