Chemical ordering in Pt–Au, Pt–Ag and Pt–Cu nanoparticles from density functional calculations using a topological approach-Reference-Cited by-同舟云学术

Chemical ordering in Pt–Au, Pt–Ag and Pt–Cu nanoparticles from density functional calculations using a topological approach

Published:2021 Issue:20 Volume:2 Page:6589-6602
ISSN:2633-5409
Container-title:Materials Advances
language:en
Short-container-title:Mater. Adv.

Author:

Vega Lorena¹,Aleksandrov Hristiyan A.²^ORCID,Farris Riccardo¹,Bruix Albert¹^ORCID,Viñes Francesc¹^ORCID,Neyman Konstantin M.¹³^ORCID

Affiliation:

1. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, 08028 Barcelona, Spain

2. Faculty of Chemistry and Pharmacy, University of Sofia, 1126 Sofia, Bulgaria

3. ICREA (Institució Catalana de Recerca i Estudis Avançats), 08010 Barcelona, Spain

Abstract

Chemical orderings and properties of up to 4.4 nm large Pt-containing particles with coinage metals Au, Ag and Cu are modelled using a topological approach combined with density functional calculations.

Funder

Generalitat de Catalunya

Ministry of Education and Science

European Cooperation in Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2021/MA/D1MA00529D

Reference59 articles.

1. Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles