DFT combined with XPS to investigate sulfur removal and sulfur-fixation mechanisms of copper oxide during coal pyrolysis and semi-coke combustion
Chunjuan Zhang, An Yan, Huiqing Guo, Yanqiu Lei, Haigang Hao, Fenrong Liu
Topics & Concepts
SulfurThiopheneCharPyrolysisX-ray photoelectron spectroscopyOxygenChemistryOxideInorganic chemistryDensity functional theoryCoalCopperCatalysisDecompositionAdsorptionCopper oxideChemical engineeringPhysical chemistryOrganic chemistryComputational chemistryEngineeringThermochemical Biomass Conversion ProcessesThermal and Kinetic AnalysisCatalytic Processes in Materials Science