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Light Emission in 2D Silver Phenylchalcogenolates.

Woo Seok Lee1,2, Yeongsu Cho1, Eric R Powers1

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts02139, United States.

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|November 23, 2022
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Summary
This summary is machine-generated.

Silver phenylselenolate (AgSePh) and silver phenyltellurolate (AgTePh) are 2D semiconductors with different excitonic behaviors due to their unique band structures. AgTePh shows self-trapping, while AgSePh interacts with defects.

Keywords:
exciton dynamicshybrid semiconductorsmetal−organic chalcogenolatesoptical propertiesself-trapped excitonstwo-dimensional

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid-State Chemistry

Background:

  • Silver phenylselenolate (AgSePh) and silver phenyltellurolate (AgTePh) are 2D van der Waals semiconductors within the metal-organic chalcogenolates class.
  • These materials share identical crystal structures but display divergent excitonic properties.

Purpose of the Study:

  • To investigate the contrasting excitonic dynamics and luminescence behaviors of AgSePh and AgTePh.
  • To elucidate the underlying mechanisms, including self-trapping and defect interactions, influencing exciton behavior.
  • To correlate the observed excitonic phenomena with the distinct electronic band structures of these materials.

Main Methods:

  • Time-resolved and temperature-dependent absorption and emission microspectroscopy.
  • Subgap photoexcitation studies.
  • Density functional theory (DFT) calculations.

Main Results:

  • AgSePh exhibits fast luminescence with a small Stokes shift, attributed to band-edge exciton interactions with extrinsic defects.
  • AgTePh displays slow, broadened, and red-shifted luminescence, dominated by intrinsic exciton self-trapping behavior.
  • DFT calculations reveal distinct band structures: AgSePh has parabolic band edges with a direct gap at Γ, while AgTePh possesses a saddle point at Γ with horizontal splitting.

Conclusions:

  • Exciton dynamics in AgSePh and AgTePh are governed by different mechanisms, linked to their unique band structures.
  • The self-trapping behavior in AgTePh is intrinsically linked to its non-parabolic band structure.
  • Further research is needed to fully understand the correlation between band structure and exciton self-trapping in metal-organic chalcogenolates.