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Very stable in operando and low‐loaded atomic molybdenum on solid‐support materials have been prepared and tested to be catalytically active for N2‐into‐NH3 hydrogenation. Ammonia synthesis is reported at atmospheric pressure and 400 °C with NH3 rates of approximately 1.3×103 μmol h−1 gMo−1 using a well‐defined Mo‐hydride grafted on silica (SiO2‐700). DFT modelling on the reaction mechanism suggests...
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