Understanding the dehydrogenation mechanism over iron nanoparticles catalysts based on density functional theory
Wenjuan Yang, Yating Zhu, Junjun Li, Zheng Chen, Farhat Nosheen, Qitao Zhang, Zhicheng Zhang
Topics & Concepts
DehydrogenationCatalysisDensity functional theoryNanoparticleNoble metalAdsorptionChemical engineeringMaterials scienceChemistrySelectivityInorganic chemistryNanotechnologyComputational chemistryOrganic chemistryEngineeringAsymmetric Hydrogenation and CatalysisNanomaterials for catalytic reactionsCatalytic Processes in Materials Science