Catalytic mechanism of bi-alkali-metal-doped char in heterogeneous reduction of NO: A density functional theory study
Mengchi Yang, Chao Liu, Lianfei Xu, Menghao Dong, Zhuozhi Wang, Boxiong Shen, Wenwen Kong, Xin Wang, Jiancheng Yang
Topics & Concepts
CharAlkali metalDensity functional theoryCatalysisDopingChemistryDissociation (chemistry)Activation energyInorganic chemistryPhysical chemistryMaterials scienceComputational chemistryOrganic chemistryOptoelectronicsCombustionCatalytic Processes in Materials ScienceNanomaterials for catalytic reactionsAmmonia Synthesis and Nitrogen Reduction