A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters
AbstractWe 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, truncated octahedra and cuboctahedra, in the size range between 25–58 atoms. The average adsorption energy depends on the chemical composition, varying from 2 eV for pure Ni, 1.07 for pure Pt and 1.09 for a Pt
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Paz-Borbón, L.O.; Baletto, F. A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters. Inorganics 2017, 5, 43.
Paz-Borbón LO, Baletto F. A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters. Inorganics. 2017; 5(3):43.Chicago/Turabian Style
Paz-Borbón, Lauro O.; Baletto, Francesca. 2017. "A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters." Inorganics 5, no. 3: 43.
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