Optoelectronic Properties of Carbon Nanorings: Excitonic Effects from Time-Dependent Density Functional Theory

Article, Preprint English OPEN
Wong, Bryan M.;
  • Publisher: American Chemical Society
  • Journal: The Journal of Physical Chemistry. C, Nanomaterials and Interfaces,volume 113,issue 52,pages21,921-21,927 (issn: 1932-7447, eissn: 1932-7455)
  • Related identifiers: pmc: PMC3317592, doi: 10.1021/jp9074674
  • Subject: Physics - Chemical Physics | Physics - Atomic and Molecular Clusters | Physics - Computational Physics | Article

The electronic structure and size-scaling of optoelectronic properties in cycloparaphenylene carbon nanorings are investigated using time-dependent density functional theory (TDDFT). The TDDFT calculations on these molecular nanostructures indicate that the lowest excit... View more
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