Composition-dependent morphologies of CeO2 nanoparticles in the presence of Co-adsorbed H2O and CO2: a density functional theory study-Reference-Cited by-同舟云学术

Composition-dependent morphologies of CeO₂ nanoparticles in the presence of Co-adsorbed H₂O and CO₂: a density functional theory study

Published:2024 Issue:23 Volume:16 Page:11232-11249
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Moxon Samuel¹^ORCID,Symington Adam R.²,Tse Joshua S.¹^ORCID,Flitcroft Joseph M.³^ORCID,Skelton Jonathan M.³^ORCID,Gillie Lisa J.¹,Cooke David J.¹,Parker Stephen C.²^ORCID,Molinari Marco¹^ORCID

Affiliation:

1. Department of Physical and Life Sciences, University of Huddersfield, Queensgate, Huddersfield, HD1 3DH, UK

2. Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK

3. Department of Chemistry, University of Manchester, Manchester, M13 9PL, UK

Abstract

A theoretical framework for analysing surface speciation and predicting the thermodynamically stable particle morphologies accessible under a set of environmental conditions. This is applied to cerium dioxide but can be used on other materials.

Funder

University of Huddersfield

University of Manchester

UK Research and Innovation

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NR/D4NR01296H

Reference116 articles.

1. UNDERSTANDING CERIA-BASED CATALYTIC MATERIALS: AN OVERVIEW OF RECENT PROGRESS

2. The surface chemistry of cerium oxide

3. Ceria-Based Solid Catalysts for Organic Chemistry

4. Nanoceria as antioxidant: Synthesis and biomedical applications

5. Fundamentals and Catalytic Applications of CeO2-Based Materials

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1. Composition-dependent morphology of stoichiometric and oxygen deficient PuO2 nanoparticles in the presence of H2O and CO2: A density-functional theory study;Applied Surface Science;2024-12

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