Monte Carlo and Kinetic Monte Carlo Models for Deposition Processes: A Review of Recent Works

Frontiers in Physics

Deifilia To¹  George Memos²  Nikolaos Cheimarios³  Andreas G. Boudouvis³  George Kokkoris⁴ 

[1] Department of Chemical Engineering, McGill University, Montreal, QC, Canada;Institute of Nanoscience and Nanotechnology, NCSR “Demokritos”, Athens, Greece;School of Chemical Engineering, National Technical University of Athens, Athens, Greece;School of Chemical Engineering, National Technical University of Athens, Athens, Greece;Institute of Nanoscience and Nanotechnology, NCSR “Demokritos”, Athens, Greece;

关键词: physical vapor deposition;    chemical vapor deposition;    atomic layer deposition;    electrochemical deposition;    nanorods;    graphene;    transition metal dichalcogenide;    Li metal anode;   

DOI  :  10.3389/fphy.2021.631918

来源: Frontiers

【 摘 要 】

Monte Carlo (MC) and kinetic Monte Carlo (kMC) models are widely used for studying the physicochemical surface phenomena encountered in most deposition processes. This spans from physical and chemical vapor deposition to atomic layer and electrochemical deposition. MC and kMC, in comparison to popular molecular methods, such as Molecular Mechanics/Dynamics, have the ability to address much larger time and spatial scales. They also offer a far more detailed approach of the surface processes than continuum-type models, such as the reaction-diffusion models. This work presents a review of the modern applications of MC/kMC models employed in deposition processes.

【 授权许可】

CC BY