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First principles study of oxygen adsorption on the anatase TiO2 (101) surface
Affiliation:1. College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China;2. State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044, China;1. Department of Physics, GTN Arts College, Dindigul 624005, India;2. P.G. and Research Department of Physics, Government Arts College, Melur 625106, Madurai, India;3. Department of Chemical Engineering, College of Engineering, Kyung Hee University, 1732 Deogyeong-daero, Gihung, Yongin, Gyeonggi 446-701, South Korea;1. Kuang-Chi Institute of Advanced Technology, Shenzhen 518057, China;2. A.A. Galkin Donetsk Institute for Physics and Engineering of National Academy of Sciences, 83114 Donetsk, Ukraine
Abstract:
The main objective of this study is to understand the sensing origin of anatase TiO2 and provide an insight into why gas sensitivity of anatase TiO2 is not so excellent.
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  • Keywords:(101) Surface  Oxygen adsorption  First-principles
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