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Updated: Apr 1, 2026

Energy Dispersive X-ray Tomography for 3D Elemental Mapping of Individual Nanoparticles
Published on: July 5, 2016
Exploring three-dimensional orbital imaging with energy-dependent photoemission tomography
S Weiß1,2, D Lüftner3, T Ules3
1Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany.
Researchers developed a 3D orbital tomography technique using angle-resolved photoemission spectroscopy. This method reconstructs molecular orbital images by analyzing photocurrent variations with photon energy, revealing scattering effects.
Area of Science:
- Surface Science
- Molecular Physics
- Spectroscopy
Background:
- Angle-resolved photoemission spectroscopy (ARPES) can image molecular orbitals in 2D.
- Orbital tomography extends ARPES to reconstruct real-space molecular orbital images.
Purpose of the Study:
- To extend orbital tomography to reconstruct 3D molecular orbital images.
- To investigate the influence of photon energy on photoemission initial states.
- To analyze scattering effects in molecular orbital imaging.
Main Methods:
- Performed photoemission initial state scans as a function of photon energy.
- Utilized the brickwall monolayer of 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) on Ag(110) as a model system.
- Modeled final states using a plane wave approximation and analyzed deviations.
Main Results:
- Photocurrent dependence on photon energy was largely explained by plane wave final states.
- Experimental data showed additional modulations attributed to final state scattering.
- Extrapolation allowed reconstruction of 3D images for highest occupied and lowest unoccupied molecular orbitals of PTCDA.
Conclusions:
- The extended orbital tomography technique successfully reconstructs 3D molecular orbital images.
- Final state scattering effects are present but relatively small.
- The method provides valuable insights into molecular orbital structures of adsorbed molecules.
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