How to determine accurate chemical ordering in several nanometer large bimetallic crystallites from electronic structure calculations-Reference-Cited by-同舟云学术

How to determine accurate chemical ordering in several nanometer large bimetallic crystallites from electronic structure calculations

Published:2015 Issue:7 Volume:6 Page:3868-3880
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Kozlov Sergey M.¹²³⁴,Kovács Gábor¹²³⁴,Ferrando Riccardo⁵⁶⁷,Neyman Konstantin M.¹²³⁴⁸^ORCID

Affiliation:

1. Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB)

2. Universitat de Barcelona

3. 08028 Barcelona

4. Spain

5. Dipartimento di Fisica and CNR-IMEM

6. 16146 Genova

7. Italy

8. Institució Catalana de Recerca i Estudis Avançats (ICREA)

Abstract

The proposed method allows to efficiently determine the atomic arrangement in bimetallic nanoparticles based on electronic structure calculations and unravels the relationship between structural preferences of atoms and binding in nanoalloys.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/SC/C4SC03321C

Reference110 articles.

1. F. Calvo , Nanoalloys from Fundamentals to Emergent Applications, Elsevier, Amsterdam, 2013

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

3. Global optimization of clusters using electronic structure methods

4. Structurally ordered intermetallic platinum–cobalt core–shell nanoparticles with enhanced activity and stability as oxygen reduction electrocatalysts

5. Morphological instability of core-shell metallic nanoparticles

Cited by 76 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Element-specific descriptors to predict the stability of binary nanoalloys;Computational Materials Science;2025-01

2. Structure evolution of Cu3Pd single-particles under CO2 hydrogenation;Chemical Engineering Journal;2024-08

3. Chemical Orderings in CuCo Nanoparticles: Topological Modeling Using DFT Calculations;Nanomaterials;2024-07-24

4. Effects of Zr dopants on properties of PtNi nanoparticles for ORR catalysis: A DFT modeling;The Journal of Chemical Physics;2024-03-26

5. Stability and Phase Transformations in Au–Pd Nanoparticles Studied by Means of Combined Monte Carlo and Molecular Dynamics Simulations;The Journal of Physical Chemistry C;2024-02-08