通过吸附层的电子转移反应
Electron Transfer Reaction Through an Adsorbed Layer
摘要：
我们考虑电子从氧化还原到电极通过和吸附的中间体。的形式主义的发展，以涵盖所有制度的覆盖因子，从孤吸附单层政权。用相干势近似处理了吸附质分布的随机性。我们给出了所有覆盖制度的电流超电位配置文件。我们明确地分析了低覆盖度和高覆盖度的制度，补充与DOS配置文件的吸附质在弱耦合和强耦合的部门。在低覆盖度下，强耦合吸附物中成键和反键态的突出导致电流-过电位曲线中的鞍点行为。我们能够在低覆盖率下恢复马库斯倒置区域，在高覆盖率下恢复传统的直接电子转移行为。
英文摘要：
We consider electron transfer from a redox to an electrode through and adsorbed intermediate. The formalism is developed to cover all regimes of coverage factor, from lone adsorbate to monolayer regime. The randomness in the distribution of adsorbates is handled using coherent potential approximation. We give current-overpotential profile for all coverage regimes. We explictly analyse the low and high coverage regimes by supplementing with DOS profile for adsorbate in both weakly coupled and strongly coupled sector. The prominence of bonding and anti-bonding states in the strongly coupled adsorbates at low coverage gives rise to saddle point behaviour in current-overpotential profile. We were able to recover the marcus inverted region at low coverage and the traditional direct electron transfer behaviour at high coverage.
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