Chirality pure carbon nanotubes: Growth, sorting, and characterization

F Yang, M Wang, D Zhang, J Yang, M Zheng… - Chemical …, 2020 - ACS Publications
Single-walled carbon nanotubes (SWCNTs) have been attracting tremendous attention
owing to their structure (chirality) dependent outstanding properties, which endow them with …

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 …

The ReaxFF reactive force-field: development, applications and future directions

TP Senftle, S Hong, MM Islam, SB Kylasa… - npj Computational …, 2016 - nature.com
The reactive force-field (ReaxFF) interatomic potential is a powerful computational tool for
exploring, develo** and optimizing material properties. Methods based on the principles …

Plasma nanoscience: from nano-solids in plasmas to nano-plasmas in solids

K Ostrikov, EC Neyts, M Meyyappan - Advances in Physics, 2013 - Taylor & Francis
The unique plasma-specific features and physical phenomena in the organization of
nanoscale soild-state systems in a broad range of elemental composition, structure, and …

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 …

Mechanical properties and defect sensitivity of diamond nanothreads

RE Roman, K Kwan, SW Cranford - Nano letters, 2015 - ACS Publications
One of the newest carbon allotropes synthesized are diamond nanothreads. Using
molecular dynamics, we determine the stiffness (850 GPa), strength (26.4 nN), extension …

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 …

Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review

AJ Page, F Ding, S Irle… - Reports on Progress in …, 2015 - iopscience.iop.org
The discovery of carbon nanotubes (CNTs) and graphene over the last two decades has
heralded a new era in physics, chemistry and nanotechnology. During this time, intense …

Liquid-phase methane bubble plasma discharge for heavy oil processing: Insights into free radicals-induced hydrogenation

Y Liu, L Dou, R Zhou, H Sun, Z Fan, C Zhang… - Energy Conversion and …, 2021 - Elsevier
Hydrogenation, an alternative to conventional cracking, is poised to revolutionize heavy oil
upgrading by raising the hydrogen-to-carbon ratio at lower process pressures and …

Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

JA Elliott, Y Shibuta, H Amara, C Bichara, EC Neyts - Nanoscale, 2013 - pubs.rsc.org
We discuss the synthesis of carbon nanotubes (CNTs) and graphene by catalytic chemical
vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of …