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Articles by Bernd Winter
Direct observation of the complex S(IV) equilibria at the liquid-vapor interface - Nature Communications
Abstract The multi-phase oxidation of S(IV) plays a crucial role in the atmosphere, leading to the formation of haze and severe pollution episodes. We here contribute to its understanding on a molecular level by reporting experimentally determined pKa values of the various S(IV) tautomers and reaction barriers for SO2 formation pathways.
Electronic Structure of Aqueous-Phase Anatase Titanium Dioxide Nanoparticles Probed by Liquid Jet Photoelectron Spectroscopy
Electronic Structure of Aqueous-Phase Anatase Titanium Dioxide Nanoparticles Probed by Liquid Jet Photoelectron Spectroscopy Hebatallah Ali, Robert Seidel, Arno Bergmann and Bernd Winter Abstract We report on the nature of water interactions with anatase TiO2 surfaces. TiO2 nanoparticles (NPs), 3, 6, 10, 20 nm diameter, dispersed in different aqueous solutions were investigated by soft-X-ray photoemission spectroscopy from liquid microjets.
Molecular species forming at the α-Fe2O3 Nanoparticle - Aqueous Solution Interface
We report on electronic structure measurements of the interface between hematite nanoparticles (6 nm diameter) and aqueous solutions. Using soft X-ray photoelectron spectroscopy from a liquid microjet we detect valence and core-level photoelectrons as well as Auger-electrons from liquid water, from the nanoparticle – water interface, and from the interior of the aqueous-phase nanoparticles.
Erratum: “Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling” [J. Chem. Phys. 143, 074104 (2015)]
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Photoelectron Spectra of Aqueous Solutions from First Principles
We present a combined computational and experimental study of the photoelectron spectrum of a simple aqueous solution of NaCl. Measurements were conducted on microjets, and first-principles calculations were performed using hybrid functionals and many-body perturbation theory at the G W level, starting with wave functions computed in ab initio molecular dynamics simulations.
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