275 citations · 281 across the 5 of their papers we have counts for
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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,…
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…