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近年来,对于苯在Rh表面化学吸附的模式,吸附态结构和性质等问题已经在实验和理论上得到了广泛的研究,包括TDS、LEED、UPS、ELS和TPD等光谱分析方法,为研究C_6H_6与Rh的相互作用积累了大量的实验数据,提供了C_6H_6吸附在Rh(111)面上的各种可能结构和吸附成键等信息。但是所有这些实验结果还需要根据电子结构和成键性能进行详细的理论分析,以便对C_6H_6+Rh(111)吸附体系的相互作用机理有更深刻的认识。原子簇模型为处理吸附相互作用提供了一个简化的图象,它已被大量用来分析吸附物与衬底的相互作用。对于C_6H_6在过渡金属表面吸附曾经有人做过分子轨道(EHMO)的计算
In recent years, the benzene adsorption on the Rh surface mode, the structure and properties of the adsorption state have been experimentally and theoretically been widely studied, including TDS, LEED, UPS, ELS and TPD and other spectroscopic methods for the study of C_6H_6 Interactions with Rh accumulate a large amount of experimental data and provide information on the possible structures and adsorption bonds of C 6 H 6 adsorbed on the Rh (111) surface. However, all of these experimental results also need detailed theoretical analysis based on the electronic structure and bonding properties in order to gain a deeper understanding of the interaction mechanism of the C_6H_6 + Rh (111) adsorption system. The cluster model provides a simplified image for handling adsorption interactions, and it has been used extensively to analyze the interaction of adsorbates with substrates. The molecular orbitals (EHMO) calculations of C_6H_6 adsorbed on the transition metal surface have been done