高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (S1): 424.
• Chemistry in Surface Science • 上一篇 下一篇
LU Xin1,2, ZHANG Qian-Er2, LIN M.C.1
LU Xin1,2, ZHANG Qian-Er2, LIN M.C.1
摘要:
Small organic molecules on Si surface serve model systems in studies of the process of SiC, SiO and thin diamond films formation on the surfaces. We have applied the hybrid density functional B3LYP method in conjunction with cluster model approach and the ONIOM method1 to the study of methanol, formaldehyde and formic acid adsorption on the Si(100)-2×l surface.
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