The Eley-Rideal recombination reaction of H chemisorbed on the four-fold site of W(001) at a surface temperature TS=500K was studied using the fully-dimensioned semiclassical collisional model and an accurate potential energy surface for the H-W(001) system. The recombination probabilities calculated at impact energies in the range (0.05-5)eV, the energy distributions in the final states as well as other relevant collisional data are presented and discussed.

The Eley-Rideal recombination reaction of H chemisorbed on the four-fold site of W(001) at a surface temperature TS=500K was studied using the fully-dimensioned semiclassical collisional model and an accurate potential energy surface for the H-W(001) system. The recombination probabilities calculated at impact energies in the range (0.05-5)eV, the energy distributions in the final states as well as other relevant collisional data are presented and discussed.

H Atom Recombination on W(001): a Semiclassical Molecular Dynamics Study

M Rutigliano;M Cacciatore
2011

Abstract

The Eley-Rideal recombination reaction of H chemisorbed on the four-fold site of W(001) at a surface temperature TS=500K was studied using the fully-dimensioned semiclassical collisional model and an accurate potential energy surface for the H-W(001) system. The recombination probabilities calculated at impact energies in the range (0.05-5)eV, the energy distributions in the final states as well as other relevant collisional data are presented and discussed.
2011
Istituto di Nanotecnologia - NANOTEC
The Eley-Rideal recombination reaction of H chemisorbed on the four-fold site of W(001) at a surface temperature TS=500K was studied using the fully-dimensioned semiclassical collisional model and an accurate potential energy surface for the H-W(001) system. The recombination probabilities calculated at impact energies in the range (0.05-5)eV, the energy distributions in the final states as well as other relevant collisional data are presented and discussed.
Molecular Dynamics
Heterogeneous Catalysis
Atom Recombination
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/150132
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