Highly efficient selective hydrogenation of nitrocyclohexane to cyclohexanone oxime in ethylenediamine over MOF-derived catalysts: Effects of Ni-Co alloy and solvent

Chemical Engineering Journal(2023)

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摘要
•MOFs-derived Ni-Co alloy catalysts were used in NCH selective hydrogenation.•Ni-Co alloy effects facilitate CoOx reduction and increase the Co0 amounts.•Ethylenediamine favors the N-CHH formation and reduces the whole energy barriers.•Pyridinic-N favors intermediate N-CHH conversion to CHO.•Ni1Co2 (111) crystal surface presents the lowest energy barrier of the α-H transfer.
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关键词
Nitrocyclohexane,Cyclohexanone oxime,Ni-Co alloy,Nitrogen-doping,Ethylenediamine
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