Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface

Yang Wang, Huijuan Sun, Shijing Tan, Hao Feng, Zhengwang Cheng, Jin Zhao (), Aidi Zhao, Bing Wang (), Yi Luo, Jinlong Yang and J. G. Hou
Additional contact information
Yang Wang: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Huijuan Sun: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Shijing Tan: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Hao Feng: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Zhengwang Cheng: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Jin Zhao: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Aidi Zhao: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Bing Wang: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Yi Luo: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
Jinlong Yang: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China
J. G. Hou: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China

Nature Communications, 2013, vol. 4, issue 1, 1-8

Abstract: Abstract The chemical reactivity of different surfaces of titanium dioxide (TiO2) has been the subject of extensive studies in recent decades. The anatase TiO2(001) and its (1 × 4) reconstructed surfaces were theoretically considered to be the most reactive and have been heavily pursued by synthetic chemists. However, the lack of direct experimental verification or determination of the active sites on these surfaces has caused controversy and debate. Here we report a systematic study on an anatase TiO2(001)-(1 × 4) surface by means of microscopic and spectroscopic techniques in combination with first-principles calculations. Two types of intrinsic point defects are identified, among which only the Ti3+ defect site on the reduced surface demonstrates considerable chemical activity. The perfect surface itself can be fully oxidized, but shows no obvious activity. Our findings suggest that the reactivity of the anatase TiO2(001) surface should depend on its reduction status, similar to that of rutile TiO2 surfaces.

Date: 2013
References: Add references at CitEc
Citations: View citations in EconPapers (3)

Downloads: (external link)
https://www.nature.com/articles/ncomms3214 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:4:y:2013:i:1:d:10.1038_ncomms3214

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/ncomms3214

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().