Designing Reactive Bridging O<sup>2–</sup> at the Atomic Cu–O–Fe Site for Selective NH<sub>3</sub> Oxidation
Xuze Guan, Rong Han, Hiroyuki Asakura, Zhipeng Wang, Siyuan Xu, Bolun Wang, Liqun Kang, Yiyun Liu, Sushila Marlow, Tsunehiro Tanaka, Yuzheng Guo, Feng Ryan Wang
Abstract
in catalysis.
Topics & Concepts
Antibonding molecular orbitalCatalysisChemistryDensity functional theoryDissociation (chemistry)AdsorptionX-ray absorption spectroscopyRedoxOxygenInorganic chemistrySelectivityXANESAbsorption spectroscopySpectroscopyPhysical chemistryPhotochemistryComputational chemistryAtomic orbitalPhysicsBiochemistryOrganic chemistryElectronQuantum mechanicsCatalytic Processes in Materials ScienceNanomaterials for catalytic reactionsAmmonia Synthesis and Nitrogen Reduction