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

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

(2013) K. Ostrikov et al.   ADVANCES IN PHYSICS

Plasma enhanced growth of single walled carbon nanotubes at low temperature: A reactive molecular dynamics simulation

(2013) M. Shariat et al.   CARBON

Characterization of carbon atomistic pathways during single-walled carbon nanotube growth on supported metal nanoparticles

(2013) Diego A. Gómez-Gualdrón et al.   CARBON

Temperature influence on the reactivity of plasma species on a nickel catalyst surface: An atomic scale study

(2013) W. Somers et al.   CATALYSIS TODAY

Ab initio molecular dynamics simulation of dissociation of methane on nickel(111) surface: Unravelling initial stage of graphene growth via a CVD technique

(2013) Yasushi Shibuta et al.   CHEMICAL PHYSICS LETTERS

Effects of Precursor Type on the CVD Growth of Single-Walled Carbon Nanotubes

(2013) Diego A. Gómez-Gualdrón et al.   Journal of Physical Chemistry C

Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

(2013) James A. Elliott et al.   Nanoscale

Defect Healing and Enhanced Nucleation of Carbon Nanotubes by Low-Energy Ion Bombardment

(2013) E. C. Neyts et al.   PHYSICAL REVIEW LETTERS

Role of defect healing on the chirality of single-wall carbon nanotubes

(2012) M. Diarra et al.   PHYSICAL REVIEW B

Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion

(2012) Maarten J. Mees et al.   PHYSICAL REVIEW B

Thin Single-Walled Carbon Nanotubes with Narrow Chirality Distribution: Constructive Interplay of Plasma and Gibbs–Thomson Effects

(2011) Kostya (Ken) Ostrikov et al.   ACS Nano

Dynamic Evolution of Supported Metal Nanocatalyst/Carbon Structure during Single-Walled Carbon Nanotube Growth

(2011) Diego A. Gómez-Gualdrón et al.   ACS Nano

A numerical approach to the metal-catalyzed growth process of carbon nanotubes

(2011) Yasushi Shibuta   DIAMOND AND RELATED MATERIALS

A first-principles study of diatomic NiAl: Ground state, structure, and spectroscopic constants

(2011) Thomas R. Cundari et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Insights in the Plasma-Assisted Growth of Carbon Nanotubes through Atomic Scale Simulations: Effect of Electric Field

(2011) Erik C. Neyts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Changing Chirality during Single-Walled Carbon Nanotube Growth: A Reactive Molecular Dynamics/Monte Carlo Study

(2011) Erik C. Neyts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reactive molecular dynamic simulations of hydrocarbon dissociations on Ni(111) surfaces

(2011) Bin Liu et al.   SURFACE SCIENCE

Catalyzed Growth of Carbon Nanotube with Definable Chirality by Hybrid Molecular Dynamics−Force Biased Monte Carlo Simulations

(2010) Erik C. Neyts et al.   ACS Nano

Melting and solidification point of fcc-metal nanoparticles with respect to particle size: A molecular dynamics study

(2010) Yasushi Shibuta et al.   CHEMICAL PHYSICS LETTERS

Interplay of Catalyst Size and Metal−Carbon Interactions on the Growth of Single-Walled Carbon Nanotubes

(2010) Juan C. Burgos et al.   Journal of Physical Chemistry C

Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

Application of the ReaxFF Reactive Force Field to Reactive Dynamics of Hydrocarbon Chemisorption and Decomposition

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

First Principles Studies of the Effect of Nickel Carbide Catalyst Composition on Carbon Nanotube Growth

(2010) Anders Börjesson et al.   Journal of Physical Chemistry C

QM/MD Simulation of SWNT Nucleation on Transition-Metal Carbide Nanoparticles

(2010) Alister J. Page et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Early Stages in the Nucleation Process of Carbon Nanotubes

(2009) Matthieu Moors et al.   ACS Nano

Nanotube nucleation versus carbon-catalyst adhesion–Probed by molecular dynamics simulations

(2009) Morgana A. Ribas et al.   JOURNAL OF CHEMICAL PHYSICS

Linking catalyst composition to chirality distributions of as-grown single-walled carbon nanotubes by tuning Ni x Fe1−x nanoparticles

(2009) Wei-Hung Chiang et al.   NATURE MATERIALS

Tight-binding potential for atomistic simulations of carbon interacting with transition metals: Application to the Ni-C system

(2009) H. Amara et al.   PHYSICAL REVIEW B

Rapid Growth of a Single-Walled Carbon Nanotube on an Iron Cluster: Density-Functional Tight-Binding Molecular Dynamics Simulations

(2008) Yasuhito Ohta et al.   ACS Nano

Low-Temperature Single-Wall Carbon Nanotubes Synthesis: Feedstock Decomposition Limited Growth

(2008) Elena Mora et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of the gas species on the formation of carbon nanotubes during thermal chemical vapour deposition

(2008) Fumitaka Ohashi et al.   NANOTECHNOLOGY

Understanding the Nucleation Mechanisms of Carbon Nanotubes in Catalytic Chemical Vapor Deposition

(2008) H. Amara et al.   PHYSICAL REVIEW LETTERS