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231223s2009 xx |||||o 00| ||eng c |
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|a 10.1021/la900942e
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|a eng
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|a Xu, Yi-Jun
|e verfasserin
|4 aut
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|a Functionalization of the semiconductor surfaces of diamond (100), Si (100), and Ge (100) by cycloaddition of transition metal oxides
|b a theoretical prediction
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|c 2009
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 03.11.2009
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|a Date Revised 21.11.2013
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|a published: Print
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|a Citation Status MEDLINE
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|a The viability of functionalization of the semiconductor surfaces of diamond (100), Si (100), and Ge (100) by traditional [3 + 2] cycloaddition of transition metal oxides has been predicted using effective cluster models in the framework of density functional theory. The cycloaddition of transition metal oxides (OsO(4), RuO(4), and MnO(4)(-)) onto the X (100) (X = C, Si, and Ge) surface is much more facile than that of other molecular analogues including ethylene, fullerene, and single-walled carbon nanotubes because of the high reactivity of surface dimers of X (100). Our computational results demonstrate the plausibility that the well-known [3 + 2] cycloaddition of transition metal oxides to alkenes in organic chemistry can be employed as a new type of surface reaction to functionalize the semiconductor X (100) surface, which offers the new possibility for self-assembly or chemical functionalization of X (100) at low temperature. More importantly, the chemical functionalization of X (100) by cycloaddition of transition metal oxides provides the molecular basis for preparation of semiconductor-supported catalysts but also strongly advances the concept of using organic reactions to modify the solid surface, particularly to modify the semiconductor C (100), Si (100), and Ge (100) surfaces for target applications in numerous fields such as microelectronics and heterogeneous photocatalysis
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Fullerenes
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|a Metals
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|a Oxides
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|a Germanium
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|a Fu, Xianzhi
|e verfasserin
|4 aut
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 25(2009), 17 vom: 01. Sept., Seite 9840-6
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|x 1520-5827
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|g volume:25
|g year:2009
|g number:17
|g day:01
|g month:09
|g pages:9840-6
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|u http://dx.doi.org/10.1021/la900942e
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