Xue Jia

Balanced ElectronDonation Governs Adsorption SiteSelection in CO2 Electroreduction to HCOOH on TransitionMetal-Doped Magnesium Oxides

Abstract Magnesium oxide (MgO) is attractive for CO2 utilization, because interaction with O2. However, the electronic inertness has limited its application in electrochemical catalysis. Herein, spin-polarized dDFT calculations with the BEEF-vdW functional were performed to evalu...