Cover Feature: Investigating the Effect of Morphology on Nanoparticle Catalyst Reactivity: Example of Anthraquinone Hydrogenation (ChemCatChem 10/2025)

The Cover Feature The catalytic properties of nanoparticles are strongly dependent on their structural features, particularly their geometry. Computational chemistry has now revealed the physical origin of this observation by considering the hydrogenation of anthraquinone (AQ) into anthrahydroquinone (AHQ) on Pd as a model reaction. The cubic morphology is known to be more active and selective than the octahedral in this process. In their Research Article (DOI: 10.1002/cctc.202500093), J. Zaffran and co‐workers demonstrate that this experimental fact can be directly correlated with electrical charges appearing at the metallic surface when the Pd bulk is tailored as nanocubes. These charges stabilize polar adsorbates like AHQ, thereby boosting their production under such conditions. As these charges are absent in octahedral designs, this geometry is less favorable for polar species, leading to the generation of several nonpolar by‐products, which decreases the selectivity for AHQ.