Novel Silicon-Carbon Fullerene-Like Cages: A Class of sp^3-sp^2 Covalent-Ionic Hybridized Nanosystems

Details Novel Silicon-Carbon Fullerene-Like Cages: A Class of sp^3-sp^2 Covalent-Ionic Hybridized Nanosystems Novel Silicon-Carbon Fullerene-Like Cages: A Class of sp^3-sp^2 Covalent-Ionic Hybridized Nanosystems

2003-09-18

arxiv.org/abs/cond-mat/0309443v1

Physics

Condensed Matter

Scientific paper

A class of highly symmetric silicon carbide fullerene-like cage nanoclusters with carbon atoms inside the Si_20 cage and with high stability are presented. The Generalized Gradient Approximation of Density Functional Theory (GGA-DFT) is used to study the electronic and geometric structure properties of these structures and full geometry optimizations are performed with an all electron 6-311G** basis set. The stability of the clusters is found to depend on the geometrical arrangements of the carbon atoms inside the clusters and the partly ionic nature of the bonding. Possibilities of extending these structures into a larger class of nanostructures are discussed.

Affiliated with

Also associated with

No associations

Rating

Novel Silicon-Carbon Fullerene-Like Cages: A Class of sp^3-sp^2 Covalent-Ionic Hybridized Nanosystems does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Novel Silicon-Carbon Fullerene-Like Cages: A Class of sp^3-sp^2 Covalent-Ionic Hybridized Nanosystems, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Novel Silicon-Carbon Fullerene-Like Cages: A Class of sp^3-sp^2 Covalent-Ionic Hybridized Nanosystems will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-70124