Enhanced molecular adsorption of ethylene on reduced anatase TiO2 (001): role of surface O-vacancies-Reference-Cited by-同舟云学术

Enhanced molecular adsorption of ethylene on reduced anatase TiO2 (001): role of surface O-vacancies

Published:2016 Issue:95 Volume:6 Page:92241-92251
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Shukri Ganes¹²³⁴,Diño Wilson Agerico¹²³⁴⁵,Dipojono Hermawan K.⁶⁷⁸⁹¹⁰,Agusta Mohammad Kemal⁶⁷⁸⁹¹⁰,Kasai Hideaki¹²³⁴¹¹

Affiliation:

1. Department of Applied Physics

2. Osaka University

3. Osaka 565-0871

4. Japan

5. Center for Atomic and Molecular Technologies

6. National Research Center for Nanotechnology

7. Institute of Technology Bandung

8. Bandung 40132

9. Indonesia

10. Laboratory of Computational Materials Design

11. National Institute of Technology

Abstract

A density functional theory (DFT)-based study of ethylene (C₂H₄) adsorption on a reduced anatase titanium dioxide (TiO₂) (001) surface, i.e., with a surface oxygen vacancy (O_vac), is presented.

Funder

Ministry of Education, Culture, Sports, Science, and Technology

New Energy and Industrial Technology Development Organisation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA13633H

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