Including image charge effects in the molecular dynamics simulations of molecules on metal surfaces

2008 ◽  
Vol 29 (10) ◽  
pp. 1656-1666 ◽  
Author(s):  
F. Iori ◽  
S. Corni
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Surfaces ◽  
Image Charge ◽  
Charge Effects ◽  
Dynamics Simulations

scholarly journals Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on metal surfaces”

2017 ◽  
Vol 38 (24) ◽  
pp. 2127-2129 ◽  
Author(s):  
Stephan N. Steinmann ◽  
Paul Fleurat-Lessard ◽  
Andreas W. Götz ◽  
Carine Michel ◽  
Rodrigo Ferreira de Morais ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Mechanics ◽  
Metal Surfaces ◽  
Image Charge ◽  
Charge Effects ◽  
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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