Chirality pure carbon nanotubes: Growth, sorting, and characterization
Single-walled carbon nanotubes (SWCNTs) have been attracting tremendous attention
owing to their structure (chirality) dependent outstanding properties, which endow them with …
owing to their structure (chirality) dependent outstanding properties, which endow them with …
Plasma catalysis: synergistic effects at the nanoscale
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 …
increasing demands on conversion and energy efficiencies are a strong driving force for the …
The ReaxFF reactive force-field: development, applications and future directions
The reactive force-field (ReaxFF) interatomic potential is a powerful computational tool for
exploring, develo** and optimizing material properties. Methods based on the principles …
exploring, develo** and optimizing material properties. Methods based on the principles …
Plasma nanoscience: from nano-solids in plasmas to nano-plasmas in solids
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 …
nanoscale soild-state systems in a broad range of elemental composition, structure, and …
Understanding plasma catalysis through modelling and simulation—a review
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 …
process viability can be maximized in terms of energy efficiency and product selectivity. This …
Mechanical properties and defect sensitivity of diamond nanothreads
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, we determine the stiffness (850 GPa), strength (26.4 nN), extension …
Molecular dynamics simulations for plasma‐surface interactions
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 …
concurrent processes. Molecular dynamics simulations provide insight in some of these …
Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review
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 …
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 …
upgrading by raising the hydrogen-to-carbon ratio at lower process pressures and …
Atomistic modelling of CVD synthesis of carbon nanotubes and graphene
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 …
vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of …