Thermally activated surface oxygen defects at the perimeter of Au/TiO2: a DFT+U study-Reference-Cited by-同舟云学术

Thermally activated surface oxygen defects at the perimeter of Au/TiO2: a DFT+U study

Published:2015 Issue:38 Volume:17 Page:25403-25410
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Saqlain Muhammad Adnan¹²³⁴⁵,Hussain Akhtar⁶⁷⁸³⁴,Siddiq Mohammad¹²³⁴,Ferreira Ary R.⁵⁹¹⁰¹¹,Leitão Alexandre A.⁵⁹¹⁰¹¹

Affiliation:

1. Department of Chemistry

2. Quaid-i-Azam University

3. Islamabad

4. Pakistan

5. Departamento de Química

6. TPD

7. Pakistan Institute of Science and Technology

8. PINSTECH

9. Universidade Federal de Juiz de Fora

10. Juiz de Fora

11. Brazil

Abstract

Density functional theory calculations were performed to examine the formation of oxygen atom vacancies on three model surfaces namely, clean anatase TiO₂(001) and, Au₃ and Au₁₀ clusters supported on anatase TiO₂(001).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP04113A

Reference67 articles.

1. Identifying an O2 Supply Pathway in CO Oxidation on Au/TiO2(110): A Density Functional Theory Study on the Intrinsic Role of Water

2. Reactivity of a reduced metal oxide surface: hydrogen, water and carbon monoxide adsorption on oxygen defective rutile TiO2()

3. Vital Role of Moisture in the Catalytic Activity of Supported Gold Nanoparticles

4. Au/TiO2 Nanosized Samples: A Catalytic, TEM, and FTIR Study of the Effect of Calcination Temperature on the CO Oxidation

5. Density Functional Theory Study of Formic Acid Adsorption on Anatase TiO2(001): Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction

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