Carbon Nanohorns as Reaction Nanochambers - a Systematic Monte Carlo Study.

ABSTRACT: Carbon nanohorns (CNHs, one of the newest carbon allotropes) have been subjected to intensive experimental and theoretical studies due to their potential applications. One of such applications can be their use as reaction nanochambers. However, experimental studies on the reaction equilibria under confinement are extremely challenging since accurate measurements of the concentrations of reacting species in pores are a very hard task. So, the main ways to examine such phenomena are theoretical methods (e.g. the reactive Monte Carlo, RxMC). We have presented the first systematic RxMC study on the influence of the CNH's geometric parameters (the apex angle, the diameter, and the length) on reaction equilibria, taking the nitrogen monoxide dimerisation as an example. All the investigated param

SUBMITTER: Furmaniak S 

PROVIDER: S-EPMC6194008 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature