Core electron binding in aromatic carbon martials

What is it about?

We investigate how the binding of the inner carbon electrons varies in a class of materials containing hexagonal carbon rings. Understanding these variations is necessary to correctly interpret x-ray photoelectron spectroscopy. The polymers investigated here are important in the microelectronic industry industry and the polycyclic aromatic hydrocarbon molecules in many other industries.

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Photo by Brian Kostiuk on Unsplash

Photo by Brian Kostiuk on Unsplash

Why is it important?

The binding strength of core electrons can be measured by x-ray spectroscopy. The understanding of how structural variation relates to core electron binding variation developed in this work can help to understand these spectra. The predicted shifts are larger than common instrumental errors and could, therefore, be detected in XPS experiments.