title: Theoretical considerations on the electroreduction of CO to C2 species on Cu(100) electrodes.
authors.affiliation: Leiden Institute of Chemistry, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands.
authors.forename: Federico
authors.initials: F
authors.lastname: Calle-Vallejo
authors.forename: Marc T M
authors.initials: MT
authors.lastname: Koper
keywords: CO reduction; CO2 reduction; density functional theory; electrocatalysis; reaction pathway