da Silva E.Z. – TechConnect Briefs

Effect of impurities in the breaking of Gold nanowires

da Silva A.J.R., da Silva E.Z., Novaes F.D., da Silva A.J.R., da Silva E.Z., Fazzio A., Universidade de Sao Paulo, BR

Surprisingly large interatomic distances, in the range of 3.6-4.0 Å, have been reported for one atom thick gold nanowires by various experimental groups. From a theoretical viewpoint, no one has been able to reproduce the [...]

Adsorption of Gold Atoms on Carbon Nanotubes

da Silva A.J.R., da Silva E.Z., Carrijo Faria J., da Silva A.J.R., da Silva E.Z., Fazzio A., Universidade de Sao Paulo, BR

We study in detail the adsorption of Au on single walled carbon nanotubes (SWCN). All our results are based on ab initio total energy Density Functional Theory calculations using numerical orbitals as basis sets. We [...]