Selectivity of CO₂ Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

Abstract

In DFT-Rechnungen zu den Aktivierungsbarrieren von Elementarreaktionen, die die Rolle von Wasser-Solvatisierung berücksichtigen, wurde ein neuer Pfad für die Elektroreduktion von CO2 zu Methan und Ethylen auf Cu(111) identifiziert. Methan wird durch Reduktion von CO zu COH gebildet (Pfad II), was zu CHx-Spezies führt, die Methan und Ethylen produzieren können, wie experimentell beobachtet wurde. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.