A DFT study on carbon monoxide adsorption onto hydroxylated α-Al2O3(0001) surfaces-Reference-Cited by-同舟云学术

A DFT study on carbon monoxide adsorption onto hydroxylated α-Al2O3(0001) surfaces

Published:2014 Issue:27 Volume:16 Page:14287-14297
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rohmann C.¹²³,Metson J. B.¹²³,Idriss H.⁴⁵⁶⁷⁸

Affiliation:

1. School of Chemical Sciences

2. The University of Auckland

3. Auckland, New Zealand

4. Department of Chemistry

5. The University of Aberdeen

6. Aberdeen, UK

7. SABIC CRI at KAUST

8. Thawal, Saudi Arabia

Abstract

The adsorption of CO onto the hydroxylated α-Al₂O₃(0001) surface was studied using density functional theory (DFT). Red: surface O; purple: surface Al; green: O of OH; white: H of OH; orange: CO.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01373E

Reference60 articles.

1. V. E. Henrich and P. A.Cox , The Surface Science of Metal Oxides , Cambridge University Press , New York , 1994

2. Characterization of α-Al2O3 supports modified with CeO2 and ZrO2

3. Electron microscopy study of CeOx–Pd/α-Al2O3 catalysts for methane dry reforming

4. Composition and structure of the Al2O3{0001}-(1 × 1) surface

5. The termination of the α-Al2O3 (0001) surface: a LEED crystallography determination

Cited by 14 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. Density functional theory (DFT) simulation and approach to property-driven investigations in ceramic and composites materials;Surface Modification and Functionalization of Ceramic Composites;2023

2. Layered double hydroxides for corrosion-related applications—Main developments from 20 years of research at CICECO;Frontiers in Chemistry;2022-11-18

3. Mechanistic Mapping of Ozone-Dosed Al₂O₃ Atomic Layer Deposition Half-Cycles;Industrial & Engineering Chemistry Research;2022-07-01

4. Insights into the mechanism of fluoride adsorption over different crystal phase alumina surfaces;Journal of Hazardous Materials;2022-02

5. Carbon monoxide elimination for health and safety: new powerful silica-based adsorbents applied in continuous breakthrough experiments at elevated laboratory scale;Air Quality, Atmosphere & Health;2018-08-01