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Stability of functionalized platform molecules on Au(111).

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Functionalized Trioxatriangulenium (TOTA) molecules show varied stability on gold surfaces. Methyl and ethyl TOTA remain intact, while ethynyl and propynyl TOTA decompose, contrary to gas-phase stability predictions.

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Area of Science:

  • Surface science
  • Materials chemistry
  • Organic electronics

Background:

  • Trioxatriangulenium (TOTA) molecules are promising platforms for advanced materials.
  • Understanding their surface interactions is crucial for device applications.

Purpose of the Study:

  • To investigate the stability and decomposition of functionalized TOTA molecules on Au(111) surfaces.
  • To correlate surface behavior with gas-phase stability and theoretical calculations.

Main Methods:

  • Sublimation of functionalized TOTA molecules (methyl, ethyl, ethynyl, propynyl, hydrogen) onto Au(111).
  • Low-temperature scanning tunneling microscopy (LT-STM) for surface analysis.
  • Density functional theory (DFT) calculations for binding energies and stability.

Main Results:

  • Ethyl-TOTA and methyl-TOTA exhibit high stability (>99%) on Au(111).
  • H-TOTA shows partial decomposition (60%), while ethynyl-TOTA and propynyl-TOTA decompose extensively (>99%).
  • Surface-induced decomposition is driven by strong binding energies of decomposition products to Au(111), contradicting gas-phase stability trends.

Conclusions:

  • The stability of functionalized TOTA molecules on Au(111) is highly dependent on the specific functional groups.
  • Decomposition on Au(111) is governed by surface interactions and binding energies, not solely by intrinsic molecular stability.
  • Van der Waals forces play a significant role in the initial adsorption of TOTA molecules.