MULTIPLE-SCATTERING STUDIES OF ADSORPTION STRUCTURE OF C2D2/Si(111)7×7
来源期刊：Acta Metallurgica Sinica2002年第2期
论文作者：P.Zhu J.C.Tang S.Cao L.Wang
Key words：adsorption of deuteron acetylene on Si(111)7×7; near edge X-ray absorption fine stracture; multiple scattering cluster method;
Abstract: The multiple scattering cluster (MSC) method has been employed to perform a theo-retical analysis on carbon 1s near edge X-ray absorption fine structure of the deuteronacetylene (C2D2) adsorbed on Si(111)7× 7 at room temperature. From the MSC study,it is confirmed that the C2D2 molecule is bonded to a pair of adjacen t Si adatom andSi restatom with C-Si bond length about 0. 18nm. The carbon-deuteron bond is bentaway from the surface andthe CCD bond angle is about 120°. The molecule planetilt slightly away from the surface normal. Compared with C2D2 in gas phase, theC-C bond and C-D bond are elongated by about 0. 03nm and 0. 02nm respectively whenacetylene was adsorbed on the subtrate.
P.Zhu1，J.C.Tang1，S.Cao1，L.Wang1
(1.Department of Physics,Zhejiang University,Hangzhou 310027,China)
Abstract:The multiple scattering cluster (MSC) method has been employed to perform a theo-retical analysis on carbon 1s near edge X-ray absorption fine structure of the deuteronacetylene (C2D2) adsorbed on Si(111)7× 7 at room temperature. From the MSC study,it is confirmed that the C2D2 molecule is bonded to a pair of adjacen t Si adatom andSi restatom with C-Si bond length about 0. 18nm. The carbon-deuteron bond is bentaway from the surface andthe CCD bond angle is about 120°. The molecule planetilt slightly away from the surface normal. Compared with C2D2 in gas phase, theC-C bond and C-D bond are elongated by about 0. 03nm and 0. 02nm respectively whenacetylene was adsorbed on the subtrate.
Key words:adsorption of deuteron acetylene on Si(111)7×7; near edge X-ray absorption fine stracture; multiple scattering cluster method;
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