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Adsorption and desorption of CO on Pt(111): a comprehensive analysis

机译:一氧化碳在Pt(111)上的吸附和解吸:综合分析

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A comprehensive theory of the adsorption of CO on Pt(111) is developed to describe equilibrium properties as well as the adsorption and desorption kinetics. The basis is a multi-site lattice gas model which allows for adsorption at on-top and bridge sites, and includes site exclusion and lateral interactions out to second neighbour unit cells as well as a mean field to account for long ranged dipolar interactions between CO molecules. The theory reproduces the coverage and temperature dependence of pressure isotherms, partial coverages, heat of adsorption, total sticking coefficients, and isothermal and temperature-programmed desorption rates. The quality of the fits and the internal consistency of the theory are such that a number of minor inconsistencies in available experimental data can be identified and discussed.
机译:建立了关于Pt(111)上CO吸附的综合理论,以描述平衡性质以及吸附和解吸动力学。该基础是一个多位点晶格气体模型,该模型允许在顶部和桥梁位点进行吸附,并且包括位点排阻和与第二个相邻晶胞的横向相互作用以及一个平均场,以解释CO之间的长距离偶极相互作用分子。该理论再现了压力等温线的覆盖率和温度依赖性,部分覆盖率,吸附热,总黏着系数以及等温和程序升温脱附速率。拟合的质量和理论的内部一致性使得可以识别和讨论可用实验数据中的许多细微不一致之处。

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