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Anatase TiO(2) single crystals with a large percentage of reactive facets

文献类型:期刊论文

作者H. G. Yang ; C. H. Sun ; S. Z. Qiao ; J. Zou ; G. Liu ; S. C. Smith ; H. M. Cheng ; G. Q. Lu
刊名Nature
出版日期2008
卷号453期号:7195页码:638-U4
关键词total-energy calculations wave basis-set hydrothermal conditions titanium-dioxide surface oxide nanostructures nanoparticles nanocrystals efficiency
ISSN号0028-0836
中文摘要Owing to their scientific and technological importance, inorganic single crystals with highly reactive surfaces have long been studied(1-13). Unfortunately, surfaces with high reactivity usually diminish rapidly during the crystal growth process as a result of the minimization of surface energy. A typical example is titanium dioxide ( TiO(2)), which has promising energy and environmental applications(14-17). Most available anatase TiO(2) crystals are dominated by the thermodynamically stable {101} facets ( more than 94 per cent, according to the Wulff construction(10)), rather than the much more reactive {001} facets(8-13,18-20). Here we demonstrate that for fluorine- terminated surfaces this relative stability is reversed: {001} is energetically preferable to {101}. We explored this effect systematically for a range of non- metallic adsorbate atoms by first- principle quantum chemical calculations. On the basis of theoretical predictions, we have synthesized uniform anatase TiO(2) single crystals with a high percentage ( 47 per cent) of {001} facets using hydrofluoric acid as a morphology controlling agent. Moreover, the fluorated surface of anatase single crystals can easily be cleaned using heat treatment to render a fluorine-
原文出处://WOS:000256185200040
公开日期2012-04-13
源URL[http://210.72.142.130/handle/321006/33270]  
专题金属研究所_中国科学院金属研究所
推荐引用方式
GB/T 7714
H. G. Yang,C. H. Sun,S. Z. Qiao,et al. Anatase TiO(2) single crystals with a large percentage of reactive facets[J]. Nature,2008,453(7195):638-U4.
APA H. G. Yang.,C. H. Sun.,S. Z. Qiao.,J. Zou.,G. Liu.,...&G. Q. Lu.(2008).Anatase TiO(2) single crystals with a large percentage of reactive facets.Nature,453(7195),638-U4.
MLA H. G. Yang,et al."Anatase TiO(2) single crystals with a large percentage of reactive facets".Nature 453.7195(2008):638-U4.

入库方式: OAI收割

来源:金属研究所

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