Density Functional Theory Study of Ethylene Carbonate Adsorption on the (0001) Surface of Aluminum Oxide α-Al<sub>2</sub>O<sub>3</sub>
Brian Ramogayana, David Santos‐Carballal, Khomotso P. Maenetja, Nora H. de Leeuw, Phuti Ngoepe
Abstract
surface and after adsorption with different coverages of parallel and perpendicularly placed EC molecules.
Topics & Concepts
AdsorptionEthylene carbonateDensity functional theoryMoleculeElectrolyteMonolayerOxideChemistryScanning tunneling microscopeElectrochemistryMaterials scienceChemical engineeringChemical physicsInorganic chemistryPhysical chemistryComputational chemistryNanotechnologyElectrodeOrganic chemistryEngineeringAdvancements in Battery MaterialsSemiconductor materials and devicesSurface and Thin Film Phenomena