On the synergistic effect of hydrohalic acids in the shape-controlled synthesis of anatase TiO2 single crystals

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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Item Type:	Article (Commonwealth Reporting Category C)
Refereed:	Yes
Item Status:	Live Archive
Additional Information:	Published version cannot be displayed due to copyright restrictions.
Faculty/School / Institute/Centre:	No Faculty
Faculty/School / Institute/Centre:	No Faculty
Date Deposited:	27 Jun 2017 23:55
Last Modified:	27 Jun 2017 23:55
Uncontrolled Keywords:	cuboid-like anatase TiO2; DFT calculations
Fields of Research (2008):	09 Engineering > 0912 Materials Engineering > 091299 Materials Engineering not elsewhere classified 03 Chemical Sciences > 0306 Physical Chemistry (incl. Structural) > 030699 Physical Chemistry not elsewhere classified 03 Chemical Sciences > 0302 Inorganic Chemistry > 030299 Inorganic Chemistry not elsewhere classified
Fields of Research (2020):	40 ENGINEERING > 4016 Materials engineering > 401699 Materials engineering not elsewhere classified 34 CHEMICAL SCIENCES > 3406 Physical chemistry > 340699 Physical chemistry not elsewhere classified 34 CHEMICAL SCIENCES > 3402 Inorganic chemistry > 340299 Inorganic chemistry not elsewhere classified
Socio-Economic Objectives (2008):	E Expanding Knowledge > 97 Expanding Knowledge > 970103 Expanding Knowledge in the Chemical Sciences
Identification Number or DOI:	https://doi.org/10.1039/c2ce26744f
URI:	http://eprints.usq.edu.au/id/eprint/31712

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