3 papers
cond-mat.mes-hall2010
Effect of hydrogen on the microstructure evolution of nanocrystalline silicon
Giorgia Fugallo, Alessandro Mattoni, Luciano Colombo
We investigated the effect of dissolved hydrogen on the microstructure evolution of nanocrystalline silicon. Through molecular dynamics simulations we characterize the local and ov…
cond-mat.mtrl-sci2010
Atomistic investigation of the poly(3-hexylthiophene) adhesion on nanostructured titania
Claudio Melis, Alessandro Mattoni, Luciano Colombo
We study the adhesion of poly(3-hexylthiophene) on nanostructured titania surface in vacuo by means of model potential molecular dynamics. We generate large scale atomistic models…
cond-mat.soft2010
Self assembling of Poly(3-hexylthiophene) (P3HT)
Claudio Melis, Alessandro Mattoni, Luciano Colombo
We study the assembling of P3HT chains in vacuo by means of a combination of first principles density functional theory and model potential molecular dynamics. We find that, in the…