Theoretical investigation of CO adsorption on Pd(111) and Pd(111) - Zn systems

I. Bakó, Robert Schennach, G. Pálinkás

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The interaction of CO with solid surfaces is a topic of fundamental and applied interest. Nowadays there is an increasing attention on alternative energy carriers, like efficient in situ conversion of methanol to hydrogen. There are several studies in the literature about the catalytic activity of Pd and Rh for dehydrogenation of liquid methanol. It was also shown, that the Cu-ZnO, Pd-ZnO catalysts show a high activity for the dehydrogenation of methanol. At the same time these systems can also be used to catalyze the hydrogenation of CO and CO2 to form methanol. In this work we performed theoretical calculations of 0.75 ML CO coverages on the Pd(111) and Pd(111)-Zn systems. The adsorption of CO on noble metals was already studied using STM techniques. Using the DFT techniques we can calculate the STM images so, we can delineate the detailed structure of the surface alloy films.

Original languageEnglish
Article number052067
JournalJournal of Physics: Conference Series
Volume100
Issue numberPART 5
DOIs
Publication statusPublished - Mar 1 2008

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methyl alcohol
adsorption
dehydrogenation
noble metals
solid surfaces
hydrogenation
catalytic activity
catalysts
hydrogen
liquids
interactions
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Theoretical investigation of CO adsorption on Pd(111) and Pd(111) - Zn systems. / Bakó, I.; Schennach, Robert; Pálinkás, G.

In: Journal of Physics: Conference Series, Vol. 100, No. PART 5, 052067, 01.03.2008.

Research output: Contribution to journalArticle

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