Halide Coverages and Applied Potential Modulate Electrochemical Hydrogenation on Cu Electrodes
Halide Electrolyte Effects in the Electrochemical Hydrogenation of Ketones on Copper
Electrochemical hydrogenationof biomass-derived ketonesoffersasustainableroute tovalue-addedchemicalsbut is often limited by competition from the hydrogen evolution reaction (HER). Here, we investigate howelectrolyte composition, and specifically halide identity, governs the selective electrochemical hydrogenation of acetophenone to 1-phenylethanol on copper electrodesundernear-neutral aqueous conditions.Potassium halide electrolytes introduce specific halide-surface interactions that modulate hydrogen adsorption, delay HER onset, and influence organic […]
Coupling Electrochemical Hydrogen Storage and Biomass Valorization
PeCATHS is committed to develop an integrated long-term energy storage system utilizing hydrogen in the form of liquid organic hydrogen carriers (LOHCs), coupled with innovative biomass conversion. This approach enables the direct transfer of hydrogen from biomass to LOHCs without the need of hydrogen gas production, while simultaneously generating high-value chemicals. By integrating chemical and […]
Modelling of Electrocatalysts Towards Long-term Sustainable Hydrogen Storage
Meeting the demands of a future hydrogen-based economy requires efficient and cost-effective hydrogen production. A novel approach to this is the electrocatalytic oxidation of biomass combined with hydrogenation of liquid organic hydrogen carriers (LOHCs). This would enable a single-step conversion of biomass derivatives into a stable LOHC whilst also forming key platform chemicals. Utilising electrocatalysts […]
When do constant-charge and constant-potential computational simulations agree? A dipole-based framework for predicting electrochemical surface coverages
Surface coverage effects play a central role in electrocatalysis, yet they are still most often analyzed computationally using vacuum models hat neglect proper treatment of electrolyte pH, applied potential, and solvation. Although constant-potential approaches can capture these effects explicitly, they remain computationally demanding, which motivates the continued use of simpler constant-charge simulations. Here, we combine […]
Selective Oxidation Strategies for Cost-Efficient Green Hydrogen Production via Hybrid Water Electrolysis
Sustainable hydrogen production is essential for decarbonizing energy and chemical manufacturing; however, conventional water electrolysis is limited by the high thermodynamic and kinetic demands of the oxygen evolution reaction (OER). Hybrid water electrolysis addresses this challenge by replacing the OER with more favorable organic oxidation reactions (OORs), reducing energy input while valorizing or remediating abundant […]
A p-type Cu2O photoanode for solar water oxidation
By incorporating selective contacts, a p-type Cu2O photoanode demonstrated a record photocurrent, establishing the best performance to date for oxide semiconductors in solar water oxidation. This work highlights that judicious interface engineering can facilitate the use of p-type semiconductors as photoanodes, thereby expanding the range of available semiconductor materials for photo(electro)catalytic oxidation reactions. The text […]
Electrohydrogenation of Benzonitrile into Benzylamine under Mild Aqueous Conditions
The electrohydrogenation of benzonitrile to benzylamine was investigated by using copper and copper−silver electrodes under mild conditions and moderate current density. In this study, we optimized several reaction parameters, including solvent, current density applied, electrolyte effect, and substrate concentration. The results reveal that the best performance in terms of yield, conversion, and faradaic efficiency was […]