DFT study of the catalytic effect of Fe on the gasification of char-CO2
Deng Zhao, Hui Liu, Pengcheng Lu, Baizhong Sun, Shuai Guo, Ming Qin
Topics & Concepts
Antibonding molecular orbitalCharCatalysisDesorptionAdsorptionAlkali metalChemistryChemical bondElectronChemical physicsMaterials scienceComputational chemistryPhysical chemistryAtomic orbitalOrganic chemistryPhysicsCombustionQuantum mechanicsThermochemical Biomass Conversion ProcessesCatalysts for Methane ReformingThermal and Kinetic Analysis