BETTERXPS: Guiding Peak Assignment in Photoelectron Spectroscopy

with ab-initio Simulations

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The aim of the BETTERXPS project is to support the development and implementation of compu­tational methods for guiding the analysis of X-ray photoelectron spectra. Our par­ti­cu­lar focus is to develop fast, accurate and user friendly tools for calculating core electron binding energies.

Calculated core electron binding energies can be used to guide chemical state identi­fication (“peak assignment”) in core level XPS. We hope that by providing XPS users with tools that allow them to extract additional valuable information from their measure­ments, this project can help make XPS as a whole a more useful, accurate and reliable method of characterization.

BETTERXPS is funded by the European Union as a Horizon Europe MSCA Staff Exchanges project (no. 101131173), and by UKRI via the UKRI Horizon Europe guarantee funding scheme.

The BETTERXPS team