欠电位沉积Ag/Au(100)低介电常数相形成与生长的蒙特卡罗模拟
Monte Carlo Simulation for the Formation and Growth of Low Dimensionality Phases During Underpotential Deposition of Ag on Au(100)
摘要:
本文用巨正则蒙特卡罗方法对Ag/Au(100)系统进行了模拟研究。相互作用的计算使用嵌入原子模型。本文研究了Ag(100)表面低维吸附相的形成及表面缺陷对吸附等温线形状的影响。模拟的结果进行了讨论,根据电化学测量的实验信息。
英文摘要:
Simulation studies are undertaken for the system Ag/Au(100) by means of grand canonical Monte Carlo applied to a large lattice system. The interactions are calculated using the embedded atom model. The formation of adsorbed Ag phases of low dimensionality on Ag(100) is investigated and the influence of surface defects on the shape of the adsorption isotherms is studied. The results of the simulations are discussed in the light of experimental information available from electrochemical measurements.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。