Density functional theory study on the interaction of H2 and CO with Fe2O3 based on hydrogen-based shaft furnace process
Xicai Liu, Jue Tang, Mansheng Chu, Zichuan Zhao, Jinge Feng, Jie Liu, Zhidong Tang
Topics & Concepts
Density functional theoryProcess (computing)HydrogenHydrogen storageChemistryMaterials scienceComputer scienceComputational chemistryOrganic chemistryOperating systemIron and Steelmaking ProcessesCatalysts for Methane ReformingChemical Looping and Thermochemical Processes