Computational Studies of Defects in Nanoscale Carbon Materials

May 11, 2009 to May 13, 2009
Location : CECAM-HQ-EPFL, Lausanne, Switzerland
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The influence of Defects in Inorganic Nanotubes on Electronic and Mechanical Properties

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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.