On the synergistic effect of hydrohalic acids in the shape-controlled synthesis of anatase TiO2 single crystals
Author(s)
Wu, Long
Yang, Bing Xing
Yang, Xiao Hua
Chen, Zhi Gang
Li, Zhen
Zhao, Hui Jun
Gong, Xue Qing
Yang, Hua Gui
Year published
2013
Metadata
Show full item recordAbstract
Cuboid-like anatase TiO2 single crystals bounded by {001} and {100} facets have been successfully synthesized with HCl as a synergistic capping agent together with HF, under the guidance of theoretical calculations. DFT calculations suggest that the preferred replacement of HCl with HF at (100) as well as its favorable adsorption provide a unique stabilization effect on the formation of cuboid-like anatase TiO2.Cuboid-like anatase TiO2 single crystals bounded by {001} and {100} facets have been successfully synthesized with HCl as a synergistic capping agent together with HF, under the guidance of theoretical calculations. DFT calculations suggest that the preferred replacement of HCl with HF at (100) as well as its favorable adsorption provide a unique stabilization effect on the formation of cuboid-like anatase TiO2.
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Journal Title
CrystEngComm
Volume
15
Issue
17
Subject
Inorganic chemistry
Inorganic green chemistry
Physical chemistry
Electrochemistry
Materials engineering