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Anatase TiO(2) single crystals with a large percentage of reactive facets
H. G. Yang; C. H. Sun; S. Z. Qiao; J. Zou; G. Liu; S. C. Smith; H. M. Cheng; G. Q. Lu
2008
Source PublicationNature
ISSN0028-0836
Volume453Issue:7195Pages:638-U4
AbstractOwing 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-
description.department[yang, hua gui; sun, cheng hua; qiao, shi zhang; liu, gang; smith, sean campbell; lu, gao qing] univ queensland, arc ctr excellence funct nanomat, sch engn, brisbane, qld 4072, australia. [yang, hua gui; sun, cheng hua; qiao, shi zhang; liu, gang; smith, sean campbell; lu, gao qing] univ queensland, australian inst bioengn & nanotechnol, ctr computat mol sci, brisbane, qld 4072, australia. [zou, jin] univ queensland, ctr microscopy & microanal, brisbane, qld 4072, australia. [zou, jin] univ queensland, sch engn, brisbane, qld 4072, australia. [liu, gang; cheng, hui ming] chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china.;lu, gq (reprint author), univ queensland, arc ctr excellence funct nanomat, sch engn, brisbane, qld 4072, australia;s.qiao@uq.edu.au maxlu@uq.edu.au
KeywordTotal-energy Calculations Wave Basis-set Hydrothermal Conditions Titanium-dioxide Surface Oxide Nanostructures Nanoparticles Nanocrystals Efficiency
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WOS IDWOS:000256185200040
Citation statistics
Cited Times:3174[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/33270
Collection中国科学院金属研究所
Recommended Citation
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.
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