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  • Density functional theory and molecular dynamic studies of hydrogen interaction with plasma-facing graphite surfaces and the impact of boron doping

Abstract

Quantum calculations are performed on hydrogen interaction with pure or doped graphite. Particular attention is given to the influence of boron doping of the (0001) basal plane of graphite on molecular hydrogen recombination. These structural results are also the first step of the series of Quantum Molecular Dynamics calculations which take into account the total system temperature and initial kinetic energy of the hydrogen atoms impinging the substrate. Models are also proposed for saturation coverage of graphite (0001) terrace and (1010) terrace edge.

Additional information

Authors: FERRO Y, Universite de Proveince and CNRS, Marseille (FR);JELEA A, Universite de Proveince and CNRS, Marseille (FR);MARINELLI F, Universite de Proveince and CNRS, Marseille (FR);ALLOUCHE A, Universite de Proveince and CNRS, Marseille (FR);BROSSET C, Departement de Recherches sur la Fusion Controlee, Association Euratom-CEA sur la Fusion, CEA Cadarache, Saint-Paul-lez-Durance (FR)
Bibliographic Reference: An oral paper given at: 16th Int. Conf. on Plasma Surface Interaction in controlled Fusion Devices Organised by: Massachusetts Institute of Technology, Plasma Science & Fusion Center, Cambridge (US) Held at: Holiday Inn By The Bay, Portla
Availability: Available from Association EURATOM-CEA, Departement de Recherches sur la Fusion Controlee, CEA Cadarache, F-13108 St Paul-Lez-Durance, France Tel: (+33) 4 42 25 70 01; Fax: (+33) 4 42 25 64 21 E-mail: dirdrfc@drfc.cad.cea.fr
Record Number: 200417629 / Last updated on: 2004-07-13
Category: PUBLICATION
Original language: en
Available languages: en