DFT study of the effect of Ca on NO heterogeneous reduction by char
Xiuxia Zhang, Miao Xie, Huixi Wu, Xiaoxue Lv, Zhijun Zhou
Topics & Concepts
CharChemistryDensity functional theoryCatalysisDesorptionMoleculeAdsorptionComputational chemistryPhysical chemistryOrganic chemistryCombustionCatalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and Materials