A DFT study of oxygen dissociation on platinum based nanoparticles-Reference-Cited by-同舟云学术

A DFT study of oxygen dissociation on platinum based nanoparticles

Published:2014 Issue:2 Volume:6 Page:1153-1165
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Jennings Paul C.¹²³⁴,Aleksandrov Hristiyan A.⁵⁶⁷⁸⁹,Neyman Konstantin M.⁵⁶⁷¹⁰¹¹,Johnston Roy L.¹²²³⁴

Affiliation:

1. School of Chemical Engineering

2. University of Birmingham

3. Edgbaston

4. UK

5. Departament de Química Física & IQTCUB

6. Universitat de Barcelona

7. Spain

8. Faculty of Chemistry and Pharmacy

9. University of Sofia

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

11. Barcelona

12. School of Chemistry

Abstract

A DFT investigation of O₂ activation on pure Pt and Ti@Pt core–shell nanoparticles and the importance of shell flexibility for fast reaction kinetics.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2014/NR/C3NR04750D

Reference51 articles.

1. A First Principles Study on the Dissociation and Rotation Processes of a Single O2 Molecule on the Pt(111) Surface

2. Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers

3. Performance of Cluster Expansions of Coverage-Dependent Adsorption of Atomic Oxygen on Pt(111)

4. Potential Energy Surfaces for Oxygen Adsorption, Dissociation, and Diffusion at the Pt(321) Surface

5. Coupled theoretical and experimental analysis of surface coverage effects in Pt-catalyzed NO and O2 reaction to NO2 on Pt(111)

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