Reaction mechanisms and activities of dual-metal sites for Li-CO2 batteries: The first-principle investigation
Xiaolin Liu, Ruihu Lu, Qian Liu, Min Zhou, Xiaobin Liao, Zhaoyang Wang, Yan Zhao
Topics & Concepts
Heteronuclear moleculeAtomic orbitalDensity functional theoryHomonuclear moleculeAtom (system on chip)ChemistryElectronegativityDual (grammatical number)CatalysisTransition metalMolecular orbitalOrbital hybridisationMetalChemical physicsComputational chemistryMaterials scienceMolecular orbital theoryPhysicsMoleculeQuantum mechanicsComputer scienceStereochemistryNuclear magnetic resonance spectroscopyElectronLiteratureArtBiochemistryOrganic chemistryEmbedded systemAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesInorganic Chemistry and Materials