2 citations · 2 across the 3 of their papers we have counts for
3 papers
Polarizable Embedding QM/MM for Periodic Systems
Julian Bessner, Anoop Ajaya Kumar Nair, Magnus Andreas Hilduberg Christiansen +3
A general polarizable embedded (PE) quantum mechanics/molecular mechanics scheme for periodic systems is presented, describing mutual polarization of the two subsystems. The QM sys…
Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces
Magnus A. H. Christiansen, Wei Wang, Elvar Ö. 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…
Single Atom Substituents in Copper Surfaces May Adsorb Multiple CO Molecules
Magnus A. H. Christiansen, Alejandro Peña-Torres, Elvar Ö. Jónsson +1
Copper is a good CO2 electroreduction catalyst as products beyond CO form, but efficiency and selectivity is low. Experiments have shown that admixture of other elements can help,…