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Role of Surface Relaxation in the Eley−Rideal Formation of H 2 on a Graphite Surface †

✍ Scribed by Morisset, S.; Aguillon, F.; Sizun, M.; Sidis, V.

Book ID
120218824
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
274 KB
Volume
108
Category
Article
ISSN
1089-5639

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✍ S Morisset; F Aguillon; M Sizun; V Sidis 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 318 KB

A wavepacket study of the dynamics of H 2 formation through a collinear Eley Rideal mechanism that explicitly handles the substrate relaxation effects is presented. The substrate used is a planar polycyclic aromatic hydrocarbon (PAH) which exhibits some strong similarities with a perfect graphite (0