Understanding the electrochemical reaction mechanisms of precious metals Au and Ru as cathode catalysts in Li–CO<sub>2</sub> batteries
Jian Zhi Hu, Chao Yang, Kunkun Guo
Abstract
The electrochemical reaction mechanisms of Au and Ru as cathode catalysts in Li–CO 2 batteries are firstly studied by first-principles density functional theory (DFT) calculations.
Topics & Concepts
CathodeElectrochemistryCatalysisDensity functional theoryMaterials scienceChemical engineeringInorganic chemistryNanotechnologyChemistryPhysical chemistryComputational chemistryElectrodeOrganic chemistryEngineeringAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesExtraction and Separation Processes