Plasma catalysis: synergistic effects at the nanoscale

EC Neyts, K Ostrikov, MK Sunkara… - Chemical reviews, 2015 - ACS Publications
Thermal-catalytic gas processing is integral to many current industrial processes. Ever-
increasing demands on conversion and energy efficiencies are a strong driving force for the …

Understanding plasma catalysis through modelling and simulation—a review

EC Neyts, A Bogaerts - Journal of Physics D: Applied Physics, 2014 - iopscience.iop.org
Plasma catalysis holds great promise for environmental applications, provided that the
process viability can be maximized in terms of energy efficiency and product selectivity. This …

High temperature pure carbon nanoparticle formation: Validation of AIREBO and ReaxFF reactive molecular dynamics

N Orekhov, G Ostroumova, V Stegailov - Carbon, 2020 - Elsevier
Molecular dynamics with reactive interatomic potentials is the only computationally feasible
approach for modeling at the atomistic level the formation of carbon nanoparticles from gas …

Molecular dynamics simulations for plasma‐surface interactions

EC Neyts, P Brault - Plasma Processes and Polymers, 2017 - Wiley Online Library
Plasma‐surface interactions are in general highly complex due to the interplay of many
concurrent processes. Molecular dynamics simulations provide insight in some of these …

Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors

U Khalilov, A Bogaerts, EC Neyts - Nature communications, 2015 - nature.com
Atomic scale simulations of the nucleation and growth of carbon nanotubes is essential for
understanding their growth mechanism. In spite of over twenty years of simulation efforts in …

Carbon‐based Flame Retardants for Polymers: A Bottom‐up Review

GH Yeoh, IM De Cachinho Cordeiro… - Advanced …, 2024 - Wiley Online Library
This state‐of‐the‐art review is geared towards elucidating the molecular understanding of
the carbon‐based flame‐retardant mechanisms for polymers via holistic characterisation …

Controlling the nucleation and growth orientation of nanocrystalline carbon films during plasma-assisted deposition: a reactive molecular dynamics/Monte Carlo study

D Zhang, L Peng, X Li, P Yi, X Lai - Journal of the American …, 2020 - ACS Publications
Nanocrystalline carbon films containing preferentially oriented graphene-based
nanocrystals within an amorphous carbon matrix have attracted significant theoretical and …

Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors

U Khalilov, A Bogaerts, EC Neyts - Nanoscale, 2014 - pubs.rsc.org
Controlling and steering the growth of single walled carbon nanotubes is often believed to
require controlling of the nucleation stage. Yet, little is known about the microscopic …

Excellent field emission with enhanced photodetection behavior of multiwalled carbon nanotubes: experimental and theoretical study

U Kumar, A Verma, RK Tripathi, BC Yadav… - Energy …, 2024 - pubs.rsc.org
In this study, we synthesized multiwalled carbon nanotubes (MWCNTs) using the direct
liquid injection chemical vapor deposition (DLICVD) method, the growth temperatures were …

Oxygen and nitrogen doping in single wall carbon nanotubes: An efficient stable field emitter

A Kumar, S Parveen, S Husain, M Zulfequar… - Journal of Alloys and …, 2017 - Elsevier
Vertically aligned single wall Carbon Nanotubes (v-SWCNTs) were synthesized by plasma
enhanced chemical vapour deposition system. Oxygen and nitrogen molecule inclusion in v …