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NH3 adsorption on PtM (Fe, Co, Ni) surfaces: Cooperating effects of charge transfer, magnetic ordering and lattice strain

Bhattacharjee, Satadeep and Yoo, SJ and Waghmare, Umesh V and Lee, SC (2016) NH3 adsorption on PtM (Fe, Co, Ni) surfaces: Cooperating effects of charge transfer, magnetic ordering and lattice strain. In: CHEMICAL PHYSICS LETTERS, 648 .

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Official URL: http://dx.doi.org/10.1016/j.cplett.2016.01.031

Abstract

Adsorption of a molecule or group with an atom which is less electronegative than oxygen (0) and directly interacting with the surface is very relevant to development of PtM (M = 3d-transition metal) catalysts with high activity. Here, we present theoretical analysis of the adsorption of NH3 molecule (N being less electronegative than 0) on (111) surfaces of PtM (Fe, Co, Ni) alloys using the first principles density functional approach. We find that, while NH3-Pt interaction is stronger than that of NH3 with the elemental M-surfaces, it is weaker than the strength of interaction of NH3 with M-site on the surface of PtM alloy. (C) 2016 Published by Elsevier B.V.

Item Type: Journal Article
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Additional Information: Copy right for this article belongs to the ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Department/Centre: Others
Date Deposited: 07 Apr 2016 05:35
Last Modified: 07 Apr 2016 05:35
URI: http://eprints.iisc.ernet.in/id/eprint/53605

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