17 citations · 28 across the 11 of their papers we have counts for
4 papers · 1 filter
Prediction of NMR, X-ray and Mössbauer experimental results for amorphous Li-Si alloys using a novel DFTB model
Francisco Fernandez, Manuel Otero, Ma. Belén Oviedo +3
Silicon anodes hold great promise for next-generation Li-ion batteries. The main obstacle to exploiting their high performance is the challenge of linking experimental observations…
Monte Carlo Simulation for the Formation and Growth of Low Dimensionality Phases During Underpotential Deposition of Ag on Au(100)
M. Cecilia Gimenez, Mario G. Del Popolo, Ezequiel P. M. Leiva
Simulation studies are undertaken for the system Ag/Au(100) by means of grand canonical Monte Carlo applied to a large lattice system. The interactions are calculated using the emb…
Comparative Monte Carlo Study of a Monolayer Growth in a Heteroepitaxial System in the Presence of Surface Defects
M. Cecilia Gimenez, Ezequiel P. M. Leiva
The adsorption of a metal monolayer or submonolayer for the systems Ag/Au(100), Au/Ag(100), Ag/Pt(100), Pt/Ag(100), Au/Pt(100), Pt/Au(100), Au/Pd(100) and Pd/Au(100) was studied by…
Model Calculations for Copper Clusters on Gold Electrodes
M. G. Del Popolo, E. P. M. Leiva, W. Schmickler
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of r…