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Mapping Molecular/Nanocrystal Orientation with Nano-FTIR.

Tianyu Sheng1, Jianyu Ren1, Matthew R Espinosa2

  • 1Department of Chemistry, University of California San Diego, La Jolla, California 92093, United States.

The Journal of Physical Chemistry Letters
|May 18, 2026
PubMed
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Researchers developed a new method to map molecular orientation in organic films at the nanoscale. This technique reveals sharp reorientations at grain boundaries, crucial for understanding material properties.

Area of Science:

  • Materials Science
  • Nanotechnology
  • Spectroscopy

Background:

  • Molecular orientation is key to organic thin film properties.
  • Heterogeneous orientations and nanometer-scale domains are common.
  • Conventional methods lack nanoscale spatial resolution for 3D orientation.

Purpose of the Study:

  • To develop a quantitative method for resolving local molecular orientation.
  • To achieve nanoscale spatial resolution in orientation characterization.
  • To investigate molecular and nanocrystal organization in organic films.

Main Methods:

  • Combining scattering-type scanning near-field optical microscopy (s-SNOM) with dipole reorientation mapping.
  • Analyzing hyperspectral nano-FTIR data.

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  • Developing an experiment-to-simulation workflow using transition dipole moment (TDM) projections.

    • Main Results:

    • Achieved ~40 nm spatial resolution for molecular orientation.
    • Revealed uniform molecular alignment within domains.
    • Observed sharp molecular reorientation at grain boundaries, invisible to topography.
    • Determined nanocrystal orientation, showing ~55° tilt at grain boundaries.

    Conclusions:

    • The methodology provides a robust framework for decoding anisotropic organization.
    • Applicable to organic semiconductors, catalytic surfaces, and biological assemblies.
    • Overcomes limitations of diffraction-limited techniques for nanoscale characterization.