Atomistic mechanisms of Si chemical mechanical polishing in aqueous H2O2: ReaxFF reactive molecular dynamics simulations
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2017.02.005
Abstract: Abstract ReaxFF reactive molecular dynamics simulations are employed to study the process of the silica abrasive particle sliding on the Si (1 0 0) substrate in the aqueous H2O2 in order to clarify the atomistic mechanisms of… read more here.
Keywords: reactive molecular; aqueous h2o2; process; reaxff reactive ... See more keywords
Thermal Stability of Organic Monolayers Grafted to Si(111): Insights from ReaxFF Reactive Molecular Dynamics Simulations.
Sign Up to like & getrecommendations! Published in 2017 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.7b05444
Abstract: We used the ReaxFF reactive molecular dynamics simulations to investigate the chemical mechanisms and kinetics of thermal decomposition processes of silicon surfaces grafted with different organic molecules via Si-C bonds at atomistic level. In this… read more here.
Keywords: reactive molecular; dehydrogenation; molecular dynamics; reaxff reactive ... See more keywords