83 citations · 142 across the 5 of their papers we have counts for
5 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…
Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas
Niranjan V. Ilawe, M. Belén Oviedo, Bryan M. Wong
Using large-scale, real-time quantum dynamics calculations, we present a detailed analysis of electronic excitation transfer (EET) mechanisms in a multi-particle plasmonic nanoante…
Optical Properties of Graphene Nanoflakes: Shape Matters
Candela Mansilla Wettstein, Franco P. Bonafé, M. Belén Oviedo +1
In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNF) or graphene quantum dots (GQD) are relevant for their electronic structure,…
Full quantum dynamics of the electronic coupling between photosynthetic pigments
María Belén Oviedo, Cristián G. Sánchez
From studying the time evolution of the single electron density matrix within a density functional tight-binding formalism we study in a fully atomistic picture the electronic exci…