Multiple bonding geometries and binding state conversion of benzene/Si(100)
Multiple bonding geometries and binding state conversion of benzene/Si(100)
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苯/Si(100)的多种键合几何结构和键态转换
DOI：
10.1116/1.581228
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发表时间：
1998
期刊：
影响因子：
--
通讯作者：
R. Wolkow
中科院分区：
文献类型：
--
作者：
G. Lopinski;T. Fortier;D. Moffatt;R. Wolkow
利用扫描隧道显微镜（STM）、傅里叶变换红外光谱和半经验量子团簇计算研究了苯在Si(100)（2×1）表面的化学吸附。室温吸附导致占据多个键构型，包括单个Si二聚体的顶部和涉及两个Si二聚体相互作用的两种不同的桥接几何形状。虽然单二聚体状态在吸附时优先填充，但它被观察到相对于桥接结构是亚稳的。单二聚体到电桥的转换被激活，势垒为0.94 eV。可以通过STM尖端辅助的工艺重新填充单个二聚体的几何形状。
Scanning tunneling microscopy (STM), Fourier-transform infrared spectroscopy and semiempirical quantum cluster calculations have been used to investigate the chemisorption of benzene on the Si(100)(2×1) surface. Room temperature adsorption results in the occupation of multiple bonding configurations including on-top of a single Si dimer and two different bridging geometries involving interaction with two Si dimers. While the single dimer state is populated preferentially upon adsorption, it is observed to be metastable with respect to the bridging configuration. The single dimer to bridge conversion is activated, with a barrier of 0.94 eV. The single dimer geometry can be repopulated via a process assisted by the STM tip.