Modeling the Growth of Single-Wall Carbon Nanotubes

Arrays of horizontal carbon nanotubes of controlled chirality grown using designed catalysts

(2017) Shuchen Zhang et al.   NATURE

Metallic Catalysts for Structure-Controlled Growth of Single-Walled Carbon Nanotubes

(2017) Meihui Li et al.   Topics in Current Chemistry

Controlled Growth of Semiconducting and Metallic Single-Wall Carbon Nanotubes

(2016) Chang Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solubility of Boron, Carbon, and Nitrogen in Transition Metals: Getting Insight into Trends from First-Principles Calculations

(2015) Xiaohui Hu et al.   Journal of Physical Chemistry Letters

Quantum Chemical Simulation of Carbon Nanotube Nucleation on Al2O3 Catalysts via CH4 Chemical Vapor Deposition

(2015) Alister J. Page et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Key roles of carbon solubility in single-walled carbon nanotube nucleation and growth

(2015) Maoshuai He et al.   Nanoscale

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

(2015) A J Page et al.   REPORTS ON PROGRESS IN PHYSICS

Atomistic simulation of the growth of defect-free carbon nanotubes

(2015) Ziwei Xu et al.   Chemical Science

Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors

(2015) Umedjon Khalilov et al.   Nature Communications

Nanocatalyst shape and composition during nucleation of single-walled carbon nanotubes

(2015) Jose L. Gomez-Ballesteros et al.   RSC Advances

Establishing the most favorable metal–carbon bond strength for carbon nanotube catalysts

(2015) Fredrik Silvearv et al.   Journal of Materials Chemistry C

Importance of Diameter Control on Selective Synthesis of Semiconducting Single-Walled Carbon Nanotubes

(2014) Jinghua Li et al.   ACS Nano

Extensive Energy Landscape Sampling of Nanotube End-Caps Reveals No Chiral-Angle Bias for Their Nucleation

(2014) Evgeni S. Penev et al.   ACS Nano

Bond dissociation mechanism of ethanol during carbon nanotube synthesis via alcohol catalytic CVD technique: Ab initio molecular dynamics simulation

(2014) Tomoya Oguri et al.   CHEMICAL PHYSICS LETTERS

Interdependency of Subsurface Carbon Distribution and Graphene–Catalyst Interaction

(2014) Robert S. Weatherup et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nucleation of Graphene and Its Conversion to Single-Walled Carbon Nanotubes

(2014) Matthieu Picher et al.   NANO LETTERS

Thermodynamics at the nanoscale: phase diagrams of nickel–carbon nanoclusters and equilibrium constants for phase transitions

(2014) Yannick Engelmann et al.   Nanoscale

Chirality-specific growth of single-walled carbon nanotubes on solid alloy catalysts

(2014) Feng Yang et al.   NATURE

Why nanotubes grow chiral

(2014) Vasilii I. Artyukhov et al.   Nature Communications

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

Carbon Free Nickel Subsurface Layer Tessellating Graphene on Ni(111) Surface

(2013) Anass Benayad et al.   Journal of Physical Chemistry C

Heterogeneous catalysis model of growth mechanisms of carbon nanotubes, graphene and silicon nanowires

(2012) John Robertson   JOURNAL OF MATERIALS CHEMISTRY

Diameter and chiral angle distribution dependencies on the carbon precursors in surface-grown single-walled carbon nanotubes

(2012) Maoshuai He et al.   Nanoscale

Carbon solubility in nickel nanoparticles: A grand canonical Monte Carlo study

(2012) Mamadou Diarra et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

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

Efficient Defect Healing in Catalytic Carbon Nanotube Growth

(2012) Qinghong Yuan et al.   PHYSICAL REVIEW LETTERS

Importance of Carbon Solubility and Wetting Properties of Nickel Nanoparticles for Single Wall Nanotube Growth

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

Evidence of Correlation between Catalyst Particles and the Single-Wall Carbon Nanotube Diameter: A First Step towards Chirality Control

(2012) M.-F. C. Fiawoo et al.   PHYSICAL REVIEW LETTERS

The surface science of graphene: Metal interfaces, CVD synthesis, nanoribbons, chemical modifications, and defects

(2012) Matthias Batzill   SURFACE SCIENCE REPORTS

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

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

Dissolved Carbon Controls the Initial Stages of Nanocarbon Growth

(2011) Ali Rinaldi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The influence of bimetallic catalyst composition on single-walled carbon nanotube yield

(2011) Wei-Hung Chiang et al.   CARBON

Effect of the Metal−Substrate Interaction Strength on the Growth of Single-Walled Carbon Nanotubes

(2011) Juan C. Burgos et al.   Journal of Physical Chemistry C

Charge Transfer between Metal Clusters and Growing Carbon Structures in Chirality-Controlled Single-Walled Carbon Nanotube Growth

(2011) Qiang Wang et al.   Journal of Physical Chemistry Letters

Magic Carbon Clusters in the Chemical Vapor Deposition Growth of Graphene

(2011) Qinghong Yuan 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

Mechanisms of Single-Walled Carbon Nanotube Nucleation, Growth, and Healing Determined Using QM/MD Methods

(2010) Alister J. Page et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nickel-Assisted Healing of Defective Graphene

(2010) Sondes Karoui et al.   ACS Nano

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

Comparison of single-walled carbon nanotube growth from Fe and Ni nanoparticles using quantum chemical molecular dynamics methods

(2010) Alister J. Page et al.   CARBON

Polyyne Chain Growth and Ring Collapse Drives Ni-Catalyzed SWNT Growth: A QM/MD Investigation

(2010) Alister J. Page 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

Predominant (6,5) Single-Walled Carbon Nanotube Growth on a Copper-Promoted Iron Catalyst

(2010) Maoshuai He et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Submonolayers of carbon onα-Fefacets: Anab initiostudy

(2010) S. Riikonen et al.   PHYSICAL REVIEW B

Early Stages in the Nucleation Process of Carbon Nanotubes

(2009) Matthieu Moors et al.   ACS Nano

State of the catalyst during carbon nanotube growth

(2009) C.T. Wirth et al.   DIAMOND AND RELATED MATERIALS

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

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

Effect of Metal Cluster-Cap Interactions on the Catalyzed Growth of Single-Wall Carbon Nanotubes

(2009) Diego A. Gómez-Gualdrón et al.   Journal of Physical Chemistry C

State of Transition Metal Catalysts During Carbon Nanotube Growth

(2009) Stephan Hofmann et al.   Journal of Physical Chemistry C

Defect Healing during Single-Walled Carbon Nanotube Growth: A Density-Functional Tight-Binding Molecular Dynamics Investigation

(2009) Alister J. Page et al.   Journal of Physical Chemistry C

Carbon Nanotube Growth from Diamond

(2009) Daisuke Takagi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal-Catalyst-Free Growth of Single-Walled Carbon Nanotubes

(2009) Bilu Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Milestones in molecular dynamics simulations of single-walled carbon nanotube formation: A brief critical review

(2009) Stephan Irle et al.   Nano Research

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

Dislocation theory of chirality-controlled nanotube growth

(2009) Feng Ding et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

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

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

The Roles of Subsurface Carbon and Hydrogen in Palladium-Catalyzed Alkyne Hydrogenation

(2008) D. Teschner et al.   SCIENCE

The Importance of Strong Carbon−Metal Adhesion for Catalytic Nucleation of Single-Walled Carbon Nanotubes

(2007) Feng Ding et al.   NANO LETTERS