Computational Studies of Defects in Nanoscale Carbon Materials
The influence of Defects in Inorganic Nanotubes on Electronic and Mechanical Properties
Download file[DOC File - 24.00 KB]
The theory of defects in inorganic nanotubes is presented and illustrated by results from Density Functional theory based calculations of the electronic structure, the energetics and the mechanical properties. The results are discussed with respect to a comparison with Carbon nanotubes and with available experimental data.