Kinetic Studies of Fluorination of Graphite
نویسندگان
چکیده
منابع مشابه
Kinetic Monte Carlo studies of hydrogen abstraction from graphite.
We present Monte Carlo simulations on Eley-Rideal abstraction reactions of atomic hydrogen chemisorbed on graphite. The results are obtained via a hybrid approach where energy barriers derived from density functional theory calculations are used as input to Monte Carlo simulations. By comparing with experimental data, we discriminate between contributions from different Eley-Rideal mechanisms. ...
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ژورنال
عنوان ژورنال: The Journal of the Society of Chemical Industry, Japan
سال: 1971
ISSN: 0023-2734,2185-0860
DOI: 10.1246/nikkashi1898.74.9_1788