Frontiers of Chemical Science and Engineering ( IF 4.5 ) Pub Date : 2019-08-22 , DOI: 10.1007/s11705-019-1837-9 Daniil Marinov
Reactions of atoms and molecules on chamber walls in contact with low temperature plasmas are important in various technological applications. Plasma-surface interactions are complex and relatively poorly understood. Experiments performed over the last decade by several groups prove that interactions of reactive species with relevant plasma-facing materials are characterized by distributions of adsorption energy and reactivity. In this paper, we develop a kinetic Monte Carlo (KMC) model that can effectively handle chemical kinetics on such heterogenous surfaces. Using this model, we analyse published adsorption-desorption kinetics of chlorine molecules and recombination of oxygen atoms on rotating substrates as a test case for the KMC model.
中文翻译:
异质表面上等离子体表面反应的动力学蒙特卡洛模拟
与低温等离子体接触的腔室壁上的原子和分子的反应在各种技术应用中都很重要。等离子体-表面相互作用是复杂的,并且了解相对较少。在过去的十年中,由多个小组进行的实验证明,反应性物种与相关的面向等离子体的材料之间的相互作用以吸附能和反应性的分布为特征。在本文中,我们开发了动力学蒙特卡洛(KMC)模型,该模型可以有效处理此类异质表面上的化学动力学。使用该模型,我们分析了已发表的氯分子的吸附-解吸动力学和旋转基板上氧原子的重组,以此作为KMC模型的测试案例。