Advanced Functional Materials · 2018 · 171 citations · 33 references
Natural SciencesChemical EngineeringChemistryCatalysisNanomaterialsSurface ScienceCarbon NanomaterialsCatalyst CharacterizationCatalyst PreparationCatalyst SynthesisCatalytic MaterialsSurface CatalysisCatalytic EfficiencyCatalytic NanomaterialsChitosanNanostructured CatalystsOxidationPorous CarbonPorous CatalystsSurface Area
Abstract Porous CoNC catalysts with ultrahigh surface area are highly required for catalytic reactions. Here, a scale‐up method to synthesize gram‐quantities of isolated Co single‐site catalysts anchored on N‐doped porous carbon nanobelt (Co‐ISA/CNB) by pyrolysis of biomass‐derived chitosan is reported. The usage of ZnCl 2 and CoCl 2 salts as effective activation–graphitization agents can introduce a porous belt‐like nanostructure with ultrahigh specific surface area (2513 m 2 g −1 ) and high graphitization degree. Spherical aberration correction electron microscopy and X‐ray absorption fine structure analysis reveal that Co species are present as isolated single sites and stabilized by nitrogen in CoN 4 structure. All these characters make Co‐ISA/CNB an efficient catalyst for selective oxidation of aromatic alkanes at room temperature. For oxidation of ethylbenzene, the Co‐ISA/CNB catalysts yield a conversion up to 98% with 99% selectivity, while Co nanoparticles are inert. Density functional theory calculations reveal that the generated CoO centers on isolated Co single sites are responsible for the excellent catalytic efficiency.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17