Molecular dynamics simulations of reactions on metal surfaces

1994 ◽  
Vol 101 (6) ◽  
pp. 5201-5208 ◽  
Author(s):  
Harrell Sellers
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Surfaces ◽  
Dynamics Simulations

Hydrogen abstraction from metal surfaces: when electron–hole pair excitations strongly affect hot-atom recombination

2016 ◽  
Vol 18 (46) ◽  
pp. 31378-31383 ◽  
Author(s):  
Oihana Galparsoro ◽  
Rémi Pétuya ◽  
Fabio Busnengo ◽  
Joseba Iñaki Juaristi ◽  
Cédric Crespos ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Surfaces ◽  
Hydrogen Abstraction ◽  
Hole Pair ◽  
Electronic Excitations ◽  
Electron Hole ◽  
Electron Hole Pair ◽  
Dynamics Simulations

Using molecular dynamics simulations, we predict that the inclusion of nonadiabatic electronic excitations influences the dynamics of preadsorbed hydrogen abstraction from the W(110) surface by hydrogen scattering.

Molecular Dynamics Simulations of Metal Clusters and Metal Deposition on Metal Surfaces

1995 ◽  
Vol 34 (Part 1, No. 12B) ◽  
pp. 6866-6872 ◽  
Author(s):  
Masahiko Katagiri ◽  
Momoji Kubo ◽  
Ryo Yamauchi ◽  
Akira Miyamoto ◽  
Yasuo Nozue ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Surfaces ◽  
Metal Clusters ◽  
Metal Deposition ◽  
Dynamics Simulations
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