24-10-2012, 11:11 AM
Predicting Real Optimized Materials: Novel Nitrogen-Containing Fullerenes and Nanotubes
ABSTRACT
We propose to investigate the possible configurations, electronic, conducting and energetic properties of nitrogencontaining
carbon fullerenes and single-walled nanotubes with nitrogen contents up to 30% using first principle density
functional theoretical calculations. The proposed research allows for a predictive method to control the electronic properties
of fullerenes and nanotubes that could pave the way for controlled fabrication of molecular circuits and nanotube networks.