Quasi-Covalently Coupled Ni–Cu Atomic Pair for Synergistic Electroreduction of CO 2

Developing highly active, selective, and stable electrocatalysts for the carbon dioxide reduction reaction (CO2RR) is crucial to establish a CO2 conversion system for industrial implementation and, therefore, to realize an artificially closed carbon loop. This can only be achieved through the rational material design based upon the knowledge of the operational active site at the molecular scale. Enlightened by theoretical screening, herein, we for the first time manipulate a novel Ni–Cu atomic pair configuration toward improved CO2RR performance. Systematic characterizations and theoretical modeling reveal that the secondary Cu metal incorporation positively shifts the Ni 3d orbital energy to the Fermi level…

• UO
  University of Waterloo
• NS
  Natural Sciences and Engineering Research Council of Canada
• WI
  Waterloo Institute for Nanotechnology, University of Waterloo