Electronic transport behavior of 1-(Phenyldiazenyl)naphthalen-2-ol and its derivatives as optical molecular switches: A first-principles approach

@article{Darugar2021ElectronicTB,
  title={Electronic transport behavior of 1-(Phenyldiazenyl)naphthalen-2-ol and its derivatives as optical molecular switches: A first-principles approach},
  author={Vahidreza Darugar and Mohammad Vakili and Sayyed Faramarz Tayyari},
  journal={Optik},
  year={2021},
  volume={236},
  pages={166475}
}
Abstract We studied the electronic transportation properties of 1-(Phenyldiazenyl)naphthalen-2-ol and its derivatives, as optical molecular switches, by using the nonequilibrium Green’s function (NEGF) formalism combined with the first-principles density functional theory (DFT). To describe this switching, we applied the geometrical and topological parameters, Time-dependent density functional theory (TD-DFT), and the second-order interaction energies, E(2), results. The mentioned switching for… Expand
1 Citations
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