English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

We explore the protonation states of benzohydroxamic acid adsorbates bound to the {101} facet of TiO2 anatase by using a combination of density functional theory, simulations of UV–vis spectra based on a tight-binding Hamiltonian, and direct comparisons to experimental measurements. We find that the characteristic red-shifted spectrum of nonmethylated, relative to the methylated, hydroxamic acids can only be explained by proposing a monodeprotonated monodentate mode as the main adsorption mode. The reported analysis suggests a simple, yet general, spectroscopic method based on UV–vis absorption measurements and tight-binding calculations for inferring changes of pKa of molecular adsorbates interacting with semiconductor electrode surfaces.

Inferring Protonation States of Hydroxamate Adsorbates on TiO2 Surfaces

Inferring Protonation States of Hydroxamate Adsorbates on TiO₂ Surfaces