A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters

A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters

We present a systematic study on the adsorption properties of molecular oxygen on Pt, Ni and PtNi clusters previously deposited on MgO(100) by means of density functional theory calculations. We map the different adsorption sites for a variety of cluster geometries, including icosahedra, decahedra,...

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Bibliographic Details
Main Authors:	Lauro Oliver Paz-Borbón, Francesca Baletto
Format:	Article
Language:	English
Published:	MDPI AG 2017-07-01
Series:	Inorganics
Subjects:	DFT calculations supported PtNi clusters MgO oxide support O2 adsorption generalized coordination number (GCN)
Online Access:	https://www.mdpi.com/2304-6740/5/3/43

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