Revealing the effects of Ni on sorption-enhanced water-gas shift reaction of CaO for H2 production by density functional theory
Yuzhuo Wang, Yingjie Li, Yang Liguo, Xiaoxu Fan, Leizhe Chu
Topics & Concepts
Water-gas shift reactionCatalysisDensity functional theoryAdsorptionChemistrySorptionDesorptionReaction mechanismFormateRedoxReactivity (psychology)Steam reformingPhysical chemistryInorganic chemistryChemical engineeringComputational chemistryHydrogen productionOrganic chemistryEngineeringMedicinePathologyAlternative medicineChemical Looping and Thermochemical ProcessesCatalytic Processes in Materials ScienceIndustrial Gas Emission Control