A density functional study on the reactivity enhancement induced by gold in IrAu nanoalloys-Reference-Cited by-同舟云学术

A density functional study on the reactivity enhancement induced by gold in IrAu nanoalloys

Published:2018 Issue:19 Volume:8 Page:10450-10456
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Cappellari Paula S.¹²³⁴⁵^ORCID,Soldano Germán J.¹²³⁴⁵,Mariscal Marcelo M.¹²³⁴⁵

Affiliation:

1. INFIQC, CONICET

2. Departamento de Qumíca Teórica y Computacional

3. Facultad de Ciencias Químicas

4. Universidad Nacional de Córdoba (XUA5000)

5. Córdoba

Abstract

The effects of chemical ordering on the stability and chemical reactivity on IrAu NAs of different sizes (8, 27, 48 and 64 total atoms) and compositions are studied using DFT calculations.

Funder

Consejo Nacional de Investigaciones Científicas y Técnicas

Fondo para la Investigación Científica y Tecnológica

Secretaría de Ciencia y Técnica, Universidad Nacional de Córdoba

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C7RA13347B

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