Molecular Dynamics Simulations of Surface Processes: Oxygen Recombination on Silica Surfaces at High Temperature
نویسندگان
چکیده
here two atoms recombine thus forming a diatomic molecule that can be either chemisorbed or reflected in the gas-phase in a given internal energy state. Reactions (1)-(2) are very often the rate determining step of complex heterogeneous systems of interest in different branches of industrial and technological applications, as for example in the ammonia synthesis, hydrocarbon production, chemical vapour deposition, etching and thin solid film deposition via plasma, nuclear rector technologies [1].
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