Publications de Wanda Andreoni

Publications associées (22)

Characterizing and Understanding Divalent Adsorbates on Carbon Nanotubes with Ab Initio and Classical Approaches: Size, Chirality, and Coverage Effects

Wanda Andreoni, Fabio Pietrucci, Alessandro Curioni

The study of oxygen chemisorption on single-walled carbon nanotubes generally relies on simple atomistic models and hence hampers the possibility to understand whether nanotube size or adduct concentration have a role in determining the surface adsorbate i ...

Amer Chemical Soc2014

Large-Scale Simulations of a-Si:H: The Origin of Midgap States Revisited

Wanda Andreoni, Alessandro Curioni

Large-scale classical and quantum simulations are used to generate a-Si: H structures. The bond-resolved density of the occupied electron states discloses the nature of microscopic defects responsible for levels in the gap. Highly strained bonds give rise ...

2011