Computational modeling of carbon nanostructures for energy storage and nanoelectronic applications

November 18 2009
Types d’événements
Séminaire SPCSI
Vincent Meunier
SPEC Bât 466 p.111 (1er ét.)
Configuration de la salle en séminaire ou réunion
30 places
Vidéo Projecteur
18/11/2009
from 14:00

We employed computational methods to study applications of carbon nanostructures as electrical energy storage media (supercapacitors) and nanoelectronic devices (including 3D nanomeshes and heterojunctions). A heuristic model based on density functional theory is built to understand fundamental energy storing mechanisms supercacitors, thereby pointing out the key role played by pore curvature on the storage performance. The electronics applications in carbon nanomeshes are studied using a quantum transport approach within Landauer-Buttiker theory and Green’s functions formalism. We emphasize the role of modeling in providing a precise understanding of processes responsible for a given functionality, and how simulations can be used to enhance desired properties and suppress unwanted ones

Oak Ridge National Laboratory, USA