alexa Novel PtNi (111) Catalyst: DFT Study Of C5H9COOH Adsorption
ISSN: 2169-0022

Journal of Material Sciences & Engineering
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7th Annual Congress on Materials Research and Technology
February 20-21, 2017 Berlin, Germany

E Diez Tortorella, S Ulacco and S Simonetti
Universidad TecnolĂłgica Nacional, Argentina
Universidad Nacional del Sur, Argentina
Posters & Accepted Abstracts: J Material Sci Eng
DOI: 10.4172/2169-0022.C1.059
Abstract
Novel bimetallic surfaces present unique geometries and electronic properties for catalysis. In this work, the density functional theory (DFT) is used to study bimetallic surface compounds of a monolayer of Pt on Ni (111) and their interaction with an organic acid molecule, the cis-3-hexenoic acid (C5H9COOH). We have found significant major properties for the PtNi (111) than Ni (111) catalyst. The PtNi (111) surface is more active on the preservation of the double carbon–carbon bond of the original organic acid. The hydrogenolysis is not being promoted suggesting that the catalyst could be adequate for the industrial oils hydrogenation. The remarkable property of PtNi (111) is that it is active to the conversion from the unsaturated acid to alcohol.
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