Structure effects of Pt15 clusters for the oxygen reduction reaction: first-principles calculations

Author:

Rodríguez-Kessler Peter L.1ORCID,Muñoz-Castro Alvaro2ORCID,Rodríguez-Domínguez Adán R.3,Cabellos José Luis4

Affiliation:

1. Centro de Investigaciones en Óptica A.C. (CIO), Loma del Bosque 115, Col. Lomas del Campestre, León, Guanajuato, 37150, Mexico

2. Facultad de Ingeniería, Arquitectura y Diseño, Universidad San Sebastián, Bellavista 7, Santiago, 8420524, Chile

3. Universidad Politécnica de Tapachula, Carretera Tapachula a Puerto Madero km 24 + 300, San Benito, Puerto Madero C.P., 30830 Tapachula, Chiapas, Mexico

4. Instituto de Física, Universidad Autónoma de San Luis Potosí, San Luis Potosí 78000, Mexico

Abstract

In the present work, the lowest energy structures and electronic properties of Pt15 clusters are investigated using first-principles calculations. The catalytic activity for the oxygen reduction reaction is analyzed and discussed.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Sistema Nacional de Investigadores

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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