Electronic properties of hexagonal graphene quantum rings from tao-dft

HIGHLIGHTS

  • who: Chi-Chun Chen and Jeng-Da Chai from the Department of Physics, National Taiwan University, Taipei, Taiwan have published the research work: Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFT, in the Journal: Nanomaterials 2022, 12, 3943. of /2022/
  • what: Among various GQRs, in this study, the authors focus on the hexagonal GQRs, consisting of n aromatic rings fused together at each side, which are denoted as n-HGQRs. As a result, in this work, the authors use TAO-DFT to explore the electronic properties (e_g, the singlet-triplet gaps, fundamental gaps . . .

     

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