The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects-Reference-Cited by-同舟云学术

The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects

Published:2018 Issue: Volume:208 Page:123-145
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Chutia Arunabhiram¹²³⁴⁵^ORCID,Willock David J.⁶⁷⁸⁹⁴^ORCID,Catlow C. Richard A.¹²³⁴⁵^ORCID

Affiliation:

1. UK Catalysis Hub

2. RCaH

3. Rutherford Appleton Laboratory

4. UK

5. Department of Chemistry

6. Cardiff Catalysis Institute

7. School of Chemistry

8. Cardiff University

9. Cardiff

Abstract

We use density functional theory with Hubbard corrections (DFT+U) to understand the local electronic properties of Au adatom and Au₂ dimer adsorption on the CeO₂ (110) surface with and without O-defects.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/FD/C8FD00002F

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