Juhan Matthias Kahk

Predicting Core-Level X-ray Photoemission Spectra of Oxide Surfaces from First-Principles─A Case Study for SnO2

Abstract X-ray photoemission spectroscopy (XPS) is a powerful technique to gain insight into the chemical properties of oxide surfaces. However, the interpretation of XPS spectra is notoriously difficult as realistic surfaces contain different terminations, reconstructions, adsor...