2 papers
physics.chem-ph2026
Atomistic Modeling for Electro-chemical Reactions
K. Doblhoff-Dier, B. Ballotta, L. Bonati +16
Computational modeling plays a central role in advancing our understanding of electro-chemical reactions and may thus guide the rational development of sustainable energy technolog…
cond-mat.mtrl-sci2025
Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces
Magnus A. H. Christiansen, Wei Wang, Elvar Ã. Jónsson +2
Copper-based catalysts are of particular interest for electrochemical reduction of CO (CO2RR) as products beyond CO can form. To improve activity and selectivity, several studi…