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Elsevier, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 1-4(228), p. 315-318

DOI: 10.1016/j.nimb.2004.10.063

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

Journal article published in 2005 by M. C. M. van de Sanden, Erik Neyts ORCID, Annemie Bogaerts ORCID, Renaat Gijbels, J. Jan Benedikt, J. Benedikta, Mcm Richard van de Sanden, van de M C. M. Sanden
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Abstract

We have investigated the sticking and H-abstraction behaviour of various hydrocarbon species relevant for the growth of thin diamond-like carbon films (DLC) by means of molecular dynamics (MD) simulations, using the updated Brenner potential. These species include C 2 , C 2 H, C 3 , propynylidene (i.e. linear C 3 H), cyclopropynyl (i.e. cyclic C 3 H) and cyclopropenylidene (i.e. cyclic C 3 H 2), with low kinetic energies typical for remote type plasma sources. We demonstrate and explain the different reactivities of these species at the surface (i.e. sticking efficiencies), as well as their ability to remove hydrogen from the surface (i.e. abstractions efficiencies). Ó 2004 Elsevier B.V. All rights reserved.