Ab initio calculations of a new type of tubular carbon molecule based on multi-layered cyclic \(\text{C}_{6}\) structures

DOI10.1016/J.PHYSLETA.2010.01.020zbMath1236.82154OpenAlexW2091263046MaRDI QIDQ2429602

Stanislav Kuzmin, Walter W. Duley

Publication date: 30 April 2012

Published in: Physics Letters. A (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.physleta.2010.01.020

zbMATH Keywords

carbon nanotubesbandgapfirst principles simulationmolecular stack

Mathematics Subject Classification ID

Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55) Variational principles of physics (49S05) Statistical mechanics of nanostructures and nanoparticles (82D80)

Uses Software

• GAUSSIAN

Cites Work

• First-principles electronic transport properties study of small carbon clusters: cyclic \(C_{6}\)

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