Electronic and ionic effects of sulphur and other acidic adsorbates on the surface of an SOFC cathode material
Matthäus Siebenhofer, Andreas Nenning, George E. Wilson, John A. Kilner, Christoph Rameshan, Markus Kubicek, Jürgen Fleig, Peter Blaha
Abstract
. The results unveil a clear correlation of work function changes and redistributed charge with the Smith acidity of the adsorbed oxide and clarify fundamental mechanistic details of atomic surface modifications. The impact of acidic adsorbates on various aspects of the oxygen exchange reaction rate is discussed in detail.
Topics & Concepts
X-ray photoelectron spectroscopyWork functionOxygenIonic bondingChemistryChemical physicsLow-energy ion scatteringOxideCathodeAdsorptionMulliken population analysisDensity functional theoryBinding energyInorganic chemistryAnalytical Chemistry (journal)IonPhysical chemistryChemical engineeringAtomic physicsComputational chemistryElectrodeOrganic chemistryEngineeringChromatographyPhysicsAdvancements in Solid Oxide Fuel CellsElectronic and Structural Properties of OxidesMagnetic and transport properties of perovskites and related materials