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The formation of O vacancy on ZrO2/Pd and its effect on methane dry reforming: Insights from DFT and microkinetic modeling

Xue-Rong Shi, Peijie Wang, Caihong Jing, Kaiwei Wu, Shusheng Xu, Bernhard Klötzer

2023Applied Surface Science25 citationsDOI

Topics & Concepts

CatalysisDensity functional theorySyngasVacancy defectMethaneOxideCarbon dioxide reformingPhase (matter)ChemistryCubic zirconiaWork (physics)MetalChemical physicsPhase boundaryMaterials scienceChemical engineeringThermodynamicsComputational chemistryCrystallographyOrganic chemistryEngineeringPhysicsCeramicCatalytic Processes in Materials ScienceCatalysts for Methane ReformingCO2 Reduction Techniques and Catalysts
The formation of O vacancy on ZrO2/Pd and its effect on methane dry reforming: Insights from DFT and microkinetic modeling | Litcius