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中国物理学会期刊

金属纳米结构表面吸附的CO分子在外电场中的相互作用

CSTR: 32037.14.aps.55.2454

Interactions of CO molecules adsorbed on metallic nanostructured surfaces in an external electric field

CSTR: 32037.14.aps.55.2454
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  • 建立金属纳米颗粒在外电场中的排列结构模型,用经典理论分析纳米结构金属表面上吸附的CO分子在外电场中的相互作用能,包括有效偶极子间的相互作用和与局域电场的相互作用,并讨论和计算了纳米颗粒表面附近的局域电场. 用Monte-Carlo方法进行数值计算和模拟,具体给出纳米颗粒表面CO分子的分布和相互作用能,表明金属表面纳米结构使CO产生凝聚,并使分子相互作用能增加,为解释异常红外吸收效应提供依据.

     

    A model is proposed to analyze the interaction energy of CO molecules adsorbed on metallic nanostructured surfaces in an external electric field, including the one between effective dipoles and the local electric field as well as the one between effective dipoles . The local fields near the nanoparticles surfaces are also calculated and discussed. Using Monte-Carlo numerical computation and simulation, the configuration of CO molecules adsorbed on nanoparticle surfaces and the interaction energy are given in detail. The results show that the metallic nanostructures cause the CO molecules to agglomerate and the interaction energy increase may explain the abnormal IR effects (AIREs).

     

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