期刊
CHEMISTRY OF MATERIALS
卷 25, 期 3, 页码 405-411出版社
AMER CHEMICAL SOC
DOI: 10.1021/cm303502b
关键词
anatase TiO2; {111} facet; photocatalysis; surface chemistry
资金
- World Premier International (WPI) Research Center Initiative on Materials Nanoarchitectonics (MANA)
- MEXT
- Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) program
In this study, for the first time, {111} facet exposed anatase TiO2 single crystals are prepared via both F- and ammonia as the capping reagents. In comparison with the most investigated {001}, {010}, and {101} facets for anatase TiO2, the density functional theory (DFT) calculations predict that {111} facet owns a much higher surface energy of 1.61 J/m(2), which is partially attributed to the large percentage of undercoordinated Ti atoms and O atoms existed on the {111} surface. These undercoordinated atoms can act as active sites in the photoreaction. Experimentally, it is revealed that this material exhibits the superior electronic band structure which can produce more reductive electrons in the photocatalytic reaction than those of the TiO2 samples exposed with majority {010}, {101}, and {001} facets. More importantly, we demonstrate that this material is an excellent photocatalyst with much higher photocatalytic activity (405.2 mu mol h(-1)), about 5, 9, and 13 times that of the TiO2 sample exposed with dominant {010}, {101}, and {001} facets, respectively. Both the superior surface atomic structure and electronic band structure significantly contribute to the enhanced photocatalytic activity. This work exemplifies that the surface engineering of semiconductors is one of the most effective strategies to achieve advanced and excellent performance over photofunctional materials for solar energy conversion.
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