Wu, Long and Yang, Bing Xing and Yang, Xiao Hua and Chen, Zhi Gang ORCID: https://orcid.org/0000-0002-9309-7993 and Li, Zhen and Zhao, Hui Jun and Gong, Xue Qing and Yang, Hua Gui
(2013)
On the synergistic effect of hydrohalic acids in the shape-controlled synthesis of anatase TiO2 single crystals.
CrystEngComm, 15 (17).
pp. 3252-3255.
Abstract
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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