All Stories

  1. Size-dependent strain and surface energies of gold nanoclusters

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Erik C. Neyts

  2. Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined molecular dynamics and experimental study

    Article • Applied Catalysis B Environment and Energy, January 2015, Elsevier

    Professor Erik C. Neyts

  3. Ion irradiation for improved graphene network formation in carbon nanotube growth

    Article • Carbon, October 2014, Elsevier

    Professor Erik C. Neyts

  4. Interactions of plasma species on nickel catalysts: A reactive molecular dynamics study on the influence of temperature and surface structure

    Article • Applied Catalysis B Environment and Energy, July 2014, Elsevier

    Professor Erik C. Neyts

  5. Computer simulations of plasma–biomolecule and plasma–tissue interactions for a better insight in plasma medicine

    Article • Journal of Physics D Applied Physics, June 2014, Institute of Physics Publishing

    Professor Erik C. Neyts

  6. Understanding polyethylene surface functionalization by an atmospheric He/O2plasma through combined experiments and simulations

    Article • Journal of Physics D Applied Physics, May 2014, Institute of Physics Publishing

    Professor Erik C. Neyts, Dr Thierry Dufour

  7. Special issue on fundamentals of plasma–surface interactions

    Article • Journal of Physics D Applied Physics, May 2014, Institute of Physics Publishing

    Professor Erik C. Neyts

  8. Understanding plasma catalysis through modelling and simulation—a review

    Article • Journal of Physics D Applied Physics, May 2014, Institute of Physics Publishing

    Professor Erik C. Neyts

  9. Incorporation of Fluorescent Dyes in Atmospheric Pressure Plasma Coatings for In-Line Monitoring of Coating Homogeneity

    Article • Plasma Processes and Polymers, May 2014, Wiley

    Professor Erik C. Neyts

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

    Article • Nanoscale, January 2014, Royal Society of Chemistry

    Professor Erik C. Neyts

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

    Article • Nanoscale, January 2014, Royal Society of Chemistry

    Professor Erik C. Neyts

  12. Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine

    Article • Journal of Physics D Applied Physics, December 2013, Institute of Physics Publishing

    Professor Erik C. Neyts, Dr. Ramses Snoeckx

  13. On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition

    Article • Chemical Physics Letters, December 2013, Elsevier

    Professor Erik C. Neyts

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

    Article • Carbon, December 2013, Elsevier

    Professor Erik C. Neyts

  15. Interaction of O and OH radicals with a simple model system for lipids in the skin barrier: a reactive molecular dynamics investigation for plasma medicine

    Article • Journal of Physics D Applied Physics, September 2013, Institute of Physics Publishing

    Professor Erik C. Neyts, Dr Adri van Duin

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

    Article • Catalysis Today, August 2013, Elsevier

    Professor Erik C. Neyts

  17. New Mechanism for Oxidation of Native Silicon Oxide

    Article • The Journal of Physical Chemistry C, May 2013, American Chemical Society (ACS)

    Professor Erik C. Neyts

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

    Article • Advances In Physics, April 2013, Taylor & Francis

    Kostya (Ken) Ostrikov, Professor Erik C. Neyts

  19. Plasma-Induced Destruction of Bacterial Cell Wall Components: A Reactive Molecular Dynamics Simulation

    Article • The Journal of Physical Chemistry C, March 2013, American Chemical Society (ACS)

    Professor Erik C. Neyts, Dr Adri van Duin, Dr. Ramses Snoeckx

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

    Article • Physical Review Letters, February 2013, American Physical Society (APS)

    Kostya (Ken) Ostrikov, Professor Erik C. Neyts

  21. Stability of Si epoxide defects in Si nanowires: a mixed reactive force field/DFT study

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Erik C. Neyts

  22. Atomistic modelling of CVD synthesis of carbon nanotubes and graphene

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Professor Erik C. Neyts, James Elliott

  23. Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Professor Erik C. Neyts, Dr Adri van Duin

  24. Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Professor Erik C. Neyts, Dr Adri van Duin

  25. Combining molecular dynamics with Monte Carlo simulations: implementations and applications

    Article • Theoretical Chemistry Accounts, December 2012, Springer Science + Business Media

    Professor Erik C. Neyts

  26. Combining molecular dynamics with Monte Carlo simulations: implementations and applications

    Article • December 2012, Springer Science + Business Media

    Professor Erik C. Neyts

  27. Modeling of plasma and plasma-surface interactions for medical, environmental and nano applications

    Article • Journal of Physics Conference Series, November 2012, Institute of Physics Publishing

    Professor Erik C. Neyts, Dr. Ramses Snoeckx

  28. Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls

    Article • New Journal of Physics, September 2012, Institute of Physics Publishing

    Professor Erik C. Neyts, Dr. Ramses Snoeckx

  29. Plasma Species Interacting with Nickel Surfaces: Toward an Atomic Scale Understanding of Plasma-Catalysis

    Article • The Journal of Physical Chemistry C, September 2012, American Chemical Society (ACS)

    Professor Erik C. Neyts

  30. Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth: Experimental and theoretical study

    Article • phys stat sol (a), September 2012, Wiley

    Professor Erik C. Neyts

  31. Self-Limiting Oxidation in Small-Diameter Si Nanowires

    Article • Chemistry of Materials, May 2012, American Chemical Society (ACS)

    Professor Erik C. Neyts

  32. Establishing Uniform Acceptance in Force Biased Monte Carlo Simulations

    Article • Journal of Chemical Theory and Computation, May 2012, American Chemical Society (ACS)

    Professor Erik C. Neyts

  33. Modeling the Growth of SWNTs and Graphene on the Atomic Scale

    Article • ECS Transactions, April 2012, The Electrochemical Society

    Professor Erik C. Neyts

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

    Article • Physical Review B, April 2012, American Physical Society (APS)

    Professor Erik C. Neyts

  35. PECVD growth of carbon nanotubes: From experiment to simulation

    Article • Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena, January 2012, American Vacuum Society

    Professor Erik C. Neyts

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

    Article • Journal of the American Chemical Society, December 2011, American Chemical Society (ACS)

    Professor Erik C. Neyts, Dr Adri van Duin

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

    Article • Journal of the American Chemical Society, October 2011, American Chemical Society (ACS)

    Professor Erik C. Neyts, Dr Adri van Duin

  38. Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

    Article • Journal of Physics D Applied Physics, April 2011, Institute of Physics Publishing

    Professor Erik C. Neyts

  39. A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation

    Article • Carbon, March 2011, Elsevier

    Professor Erik C. Neyts

  40. Hyperthermal Oxygen Interacting with Silicon Surfaces: Adsorption, Implantation, and Damage Creation

    Article • The Journal of Physical Chemistry C, March 2011, American Chemical Society (ACS)

    Professor Erik C. Neyts

  41. Theoretical Investigation of Grain Size Tuning during Prolonged Bias-Enhanced Nucleation

    Article • Chemistry of Materials, February 2011, American Chemical Society (ACS)

    Professor Erik C. Neyts

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

    Article • ACS Nano, October 2010, American Chemical Society (ACS)

    Professor Erik C. Neyts, Dr Adri van Duin

  43. Differences between Ultrananocrystalline and Nanocrystalline Diamond Growth: Theoretical Investigation of CxHy Species at Diamond Step Edges

    Article • Crystal Growth & Design, August 2010, American Chemical Society (ACS)

    Professor Erik C. Neyts

  44. Molecular dynamics simulations of Cl+ etching on a Si(100) surface

    Article • Journal of Applied Physics, June 2010, American Institute of Physics

    Professor Erik C. Neyts

  45. Insights into the Growth of (Ultra)nanocrystalline Diamond by Combined Molecular Dynamics and Monte Carlo Simulations

    Article • Crystal Growth & Design, May 2010, American Chemical Society (ACS)

    Professor Erik C. Neyts

  46. Modeling of the plasma chemistry and plasma–surface interactions in reactive plasmas

    Article • Pure and Applied Chemistry, April 2010, De Gruyter

    Professor Erik C. Neyts

  47. Bond switching regimes in nickel and nickel–carbon nanoclusters

    Article • Chemical Physics Letters, March 2010, Elsevier

    Professor Erik C. Neyts

  48. Numerical simulation of hydrocarbon plasmas for nanoparticle formation and the growth of nanostructured thin films

    Article • Plasma Physics and Controlled Fusion, November 2009, Institute of Physics Publishing

    Professor Erik C. Neyts

  49. Computer Modeling of Plasmas and Plasma‐Surface Interactions

    Article • Plasma Processes and Polymers, May 2009, Wiley

    Professor Erik C. Neyts

  50. Formation of endohedral Ni@C60 and exohedral Ni–C60 metallofullerene complexes by simulated ion implantation

    Article • Carbon, April 2009, Elsevier

    Professor Erik C. Neyts

  51. Numerical Study of the Size-Dependent Melting Mechanisms of Nickel Nanoclusters

    Article • The Journal of Physical Chemistry C, January 2009, American Chemical Society (ACS)

    Professor Erik C. Neyts

  52. Modeling adatom surface processes during crystal growth: A new implementation of the Metropolis Monte Carlo algorithm

    Article • CrystEngComm, January 2009, Royal Society of Chemistry

    Professor Erik C. Neyts

  53. MODELING PECVD GROWTH OF NANOSTRUCTURED CARBON MATERIALS

    Article • High Temperature Material Processes An International Quarterly of High-Technology Plasma Processes, January 2009, Begell House

    Professor Erik C. Neyts

  54. Characterization of Nano-crystalline Diamond Films Grown Under Continuous DC Bias During Plasma Enhanced Chemical Vapor Deposition

    Article • MRS Proceedings, January 2009, Springer Science + Business Media

    Professor Erik C. Neyts

  55. Study of Atmospheric MOCVD of TiO2 Thin Films by Means of Computational Fluid Dynamics Simulations

    Article • Chemical Vapor Deposition, November 2008, Wiley

    Professor Erik C. Neyts

  56. Molecular Dynamics Simulations of the Sticking and Etch Behavior of Various Growth Species of (Ultra)Nanocrystalline Diamond Films

    Article • Chemical Vapor Deposition, July 2008, Wiley

    Professor Erik C. Neyts

  57. On the reaction behaviour of hydrocarbon species at diamond (1 0 0) and (1 1 1) surfaces: a molecular dynamics investigation

    Article • Journal of Physics D Applied Physics, January 2008, Institute of Physics Publishing

    Professor Erik C. Neyts

  58. Reaction mechanisms and thin a-C:H film growth from low energy hydrocarbon radicals

    Article • Journal of Physics Conference Series, October 2007, Institute of Physics Publishing

    Professor Erik C. Neyts

  59. Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films

    Article • Surface and Coatings Technology, September 2007, Elsevier

    Professor Erik C. Neyts

  60. Molecular Dynamics Simulations of the Growth of Thin A-C:H Films Under Additional Ion Bombardment: Influence of the Growth Species and the Ar+ Ion Kinetic Energy

    Article • Chemical Vapor Deposition, July 2007, Wiley

    Professor Erik C. Neyts

  61. The effect of hydrogen on the electronic and bonding properties of amorphous carbon

    Article • Journal of Physics Condensed Matter, November 2006, Institute of Physics Publishing

    Professor Erik C. Neyts

  62. Monte Carlo method for simulations of adsorbed atom diffusion on a surface

    Article • Diamond and Related Materials, October 2006, Elsevier

    Professor Erik C. Neyts

  63. Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: A molecular dynamics study

    Article • Diamond and Related Materials, October 2006, Elsevier

    Professor Erik C. Neyts

  64. Densification of thin a-C : H films grown from low-kinetic energy hydrocarbon radicals under the influence of H and C particle fluxes: a molecular dynamics study

    Article • Journal of Physics D Applied Physics, April 2006, Institute of Physics Publishing

    Professor Erik C. Neyts

  65. Effect of hydrogen on the growth of thin hydrogenated amorphous carbon films from thermal energy radicals

    Article • Frontiers in Human Neuroscience, April 2006, American Institute of Physics

    Professor Erik C. Neyts

  66. Computer Simulations for Processing Plasmas

    Article • Plasma Processes and Polymers, February 2006, Wiley

    Professor Erik C. Neyts

  67. Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study

    Article • Physical Chemistry Chemical Physics, January 2006, Royal Society of Chemistry

    Professor Erik C. Neyts

  68. Unraveling the deposition mechanism in a-C:H thin-film growth: A molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces

    Article • Journal of Applied Physics, January 2006, American Institute of Physics

    Professor Erik C. Neyts

  69. Numerical modeling for a better understanding of gas discharge plasmas

    Article • High Temperature Material Processes An International Quarterly of High-Technology Plasma Processes, January 2005, Begell House

    Professor Erik C. Neyts

  70. Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC

    Article • Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms, January 2005, Elsevier

    Professor Erik C. Neyts

  71. Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species

    Article • Diamond and Related Materials, October 2004, Elsevier

    Professor Erik C. Neyts

  72. Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: Effect of adding H2 to an Ar discharge

    Article • Journal of Applied Physics, May 2003, American Institute of Physics

    Professor Erik C. Neyts

  73. PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge

    Article • Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms, April 2003, Elsevier

    Professor Erik C. Neyts

  74. Gas discharge plasmas and their applications

    Article • Spectrochimica Acta Part B Atomic Spectroscopy, April 2002, Elsevier

    Professor Erik C. Neyts