Structural and electronic properties for Be-doped Ptn (n = 1–12) clusters obtained by DFT calculations-Reference-Cited by-同舟云学术

Structural and electronic properties for Be-doped Pt_n (n = 1–12) clusters obtained by DFT calculations

Published:2022 Issue:13 Volume:24 Page:7856-7861
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rodríguez-Kessler Peter L.¹^ORCID,Rodríguez-Domínguez Adán R.²,Alonso-Dávila Pedro³,Navarro-Santos Pedro⁴,Muñoz-Castro Alvaro¹

Affiliation:

1. Grupo de Química Inorgánica y Materiales Moleculares, Facultad de Ingeniería, Universidad Autónoma de Chile, El Llano Subercaseaux 2810, Santiago, Chile

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

3. Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, San Luis Potosí 78000, Mexico

4. CONACYT-Universidad Michoacana de San Nicolás de Hidalgo, Edif. B-1, Francisco J. Múgica, s/n, Morelia 58030, Michoacán, Mexico

Abstract

In this work, we have performed a computational study on the structure and electronic properties for Be-doped Ptn (n = 1–12) clusters in the framework of density functional theory (DFT).

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05410D

Reference44 articles.

1. Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clusters

2. Heterogeneous assembly of Pt-clusters on hierarchically structured CoOx@SnPd2@SnO2 quaternary nanocatalysts manifesting oxygen reduction reaction performance

3. Tailoring of Pd–Pt bimetallic clusters with high stability for oxygen reduction reaction