A comparative theoretical study of the mechanism of ammonia decomposition on various Co/Ni catalysts using density functional theory
Endi Huangluo, Haiqiao Wei, Ying Wang, Lei Zhou
Topics & Concepts
Density functional theoryCatalysisDecompositionAmmoniaMechanism (biology)ChemistryAmmonia productionComputational chemistryInorganic chemistryMaterials sciencePhysical chemistryOrganic chemistryPhysicsQuantum mechanicsAmmonia Synthesis and Nitrogen ReductionCatalytic Processes in Materials ScienceAdvanced Data Storage Technologies