17 citations · 28 across the 11 of their papers we have counts for
11 papers
Diversity of behavior after collisions of Sn and Si nanoparticles found using a new Density-Functional Tight-Binding model
Andrés Ruderman, M. B. Oviedo, S. A. Paz +1
We present a new approach to studying nanoparticle collisions using Density Functional based Tight Binding (DFTB). A novel DFTB parameterisation has been developed to study the col…
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…
Monte Carlo simulation of metal deposition on foreign substrates
M. Cecilia Gimenez, Antonio J. Ramirez-Pastor, Ezequiel P. M. Leiva
The deposition of a metal on a foreign substrate is studied by means of grand canonical Monte Carlo simulations and a lattice-gas model with pair potential interactions between nea…
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…
2D-Drop model applied to the calculation of step formation energies on a (111) substrate
M. I. Rojas, G. E. Amilibia, M. G. Del Popolo +1
A model is presented for obtaining the step formation energy for metallic islands on (111) surfaces from Monte Carlo simulations. This model is applied to homo (Cu/Cu(111), Ag/Ag(1…