文献类型：期刊文献

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

作者：Wu, Long[1];Yang, Bing Xing[2,3];Yang, Xiao Hua[1];Chen, Zhi Gang[4,5];Li, Zhen[6];Zhao, Hui Jun[7];Gong, Xue Qing[2,3];Yang, Hua Gui[1]

机构：[1]E China Univ Sci & Technol, Sch Mat Sci & Engn, Key Lab Ultrafine Mat, Minist Educ, Shanghai 200237, Peoples R China;[2]E China Univ Sci & Technol, Ctr Computat Chem, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[3]E China Univ Sci & Technol, Res Inst Ind Catalysis, Shanghai 200237, Peoples R China;[4]Univ Queensland, Sch Mat Engn, Australian Inst Bioengn & Nanotechnol, Brisbane, Qld 4072, Australia;[5]Univ Queensland, Ctr Microscopy & Microanal, Australian Inst Bioengn & Nanotechnol, Brisbane, Qld 4072, Australia;[6]Univ Queensland, Australian Inst Bioengn & Nanotechnol, ARC Ctr Excellence Funct Nanomat, Brisbane, Qld 4072, Australia;[7]Griffith Univ, Ctr Clean Environm & Energy, Griffith, Qld 4222, Australia

年份：2013

卷号：15

期号：17

起止页码：3252

外文期刊名：CRYSTENGCOMM

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000316962300001)】；

基金：This work was financially supported by Major Basic Research Programme of Science and Technology Commission of Shanghai Municipality (10JC1403200), National Basic Research Program (2011CB808505), Shuguang Talents Programme of Education Commission of Shanghai Municipality (09SG27), National Natural Science Foundation of China (20973059, 91022023, 21076076, and 21073060), Fundamental Research Funds for the Central Universities (WJ0913001), Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning and Program for New Century Excellent Talents in University (NCET-09-0347). We thank Drs. Z.P. Liu and Y.F. Li at Fudan University for helping with solvation energy calculations.

语种：英文

摘要：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.