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• W2896583966 abstract "Abstract Very stable in operando and low‐loaded atomic molybdenum on solid‐support materials have been prepared and tested to be catalytically active for N 2 ‐into‐NH 3 hydrogenation. Ammonia synthesis is reported at atmospheric pressure and 400 °C with NH 3 rates of approximately 1.3×10 3 μmol h −1 g Mo −1 using a well‐defined Mo‐hydride grafted on silica (SiO 2‐700 ). DFT modelling on the reaction mechanism suggests that N 2 spontaneously binds on monopodal [(≡Si−O‐)MoH 3 ]. Based on calculations, the fourth hydrogenation step involving the release of the first NH 3 molecule represents the rate‐limiting step of the whole reaction. The inclusion of cobalt co‐catalyst and an alkali caesium additive impregnated on a mesoporous SBA‐15 support increases the formation of NH 3 with rates of circa 3.5×10 3 μmol h −1 g Mo −1 under similar operating conditions and maximum yield of 29×10 3 μmol h −1 g Mo −1 when the pressure is increased to 30 atm." @default.
• W2896583966 created "2018-10-26" @default.
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• W2896583966 date "2018-11-05" @default.
• W2896583966 modified "2023-10-15" @default.
• W2896583966 title "Single-Site Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N₂-into-NH₃" @default.
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• W2896583966 doi "https://doi.org/10.1002/anie.201810409" @default.
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