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Resonance and Hybrid Structures02:16

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According to the theory of resonance, if two or more Lewis structures with the same arrangement of atoms can be written for a molecule, ion, or radical, the actual distribution of electrons is an average of that shown by the various Lewis structures.
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Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
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The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
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Fabricating van der Waals Heterostructures with Precise Rotational Alignment
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Fano Resonance and Incoherent Interlayer Excitons in Molecular van der Waals Heterostructures.

Carlos R Lien-Medrano1, Franco P Bonafé2, Chi Yung Yam3

  • 1Bremen Center for Computational Materials Science, University of Bremen, Bremen 28359, Germany.

Nano Letters
|January 18, 2022
PubMed
Summary

Complex van der Waals heterostructures offer tunable optoelectronic properties. Molecular stacking enables Fano resonances for novel optical phenomena and efficient charge transfer in 2D materials.

Keywords:
2D materialsFano resonanceInterlayer excitonsmolecular vdW heterostructurestime-dependent density functional tight-binding

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Nanotechnology

Background:

  • Van der Waals heterostructures, built from layered molecular stacks, are promising for optoelectronics.
  • The impact of stacking on the electrodynamics of hybrid organic-inorganic 2D materials is under-explored.
  • Molecular engineering offers pathways to advanced optical phenomena like tunable Fano resonances.

Purpose of the Study:

  • To investigate the optoelectronic properties of self-assembled monolayers on graphene nanoribbons.
  • To explore the role of stacking in the electrodynamics of van der Waals heterostructures.
  • To understand Fano resonances and charge transfer mechanisms in these hybrid 2D systems.

Main Methods:

  • Utilized an adapted Gersten-Nitzan model.
  • Employed real-time time-dependent density functional tight-binding (RT-TDDFT) calculations.
  • Studied self-assembled monolayers on graphene nanoribbons.

Main Results:

  • Observed Fano resonances leading to electromagnetically induced opacity and transparency.
  • Identified an incoherent process responsible for interlayer exciton formation.
  • Determined a characteristic charge transfer rate for exciton formation.

Conclusions:

  • Hybrid van der Waals heterostructures are paradigmatic 2D optoelectronic systems.
  • Tunable Fano optics can be achieved through molecular engineering.
  • Unconventional charge transfer channels, including interlayer exciton formation, are present.