2021
DOI: 10.1016/j.mcat.2021.111801
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Re-Co alloys and single-atom Re catalysts in ammonia synthesis: A DFT study

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“…9c). 107 They found that the binding N to Re and Co can signicantly reduce the heat of dissociative adsorption of N 2 in the cases of Re 1 /Co(0001), Re 2 / Co(0001), and Re(0001). As a result, the specic TOF on the basis of Re 1 /Co(0001), Re 2 /Co(0001), and the plane Re(0001) changed in the order of 8.0 × 10 3 , 32.0, and 1.0, respectively.…”
Section: Single-atom/dimer Alloy Catalystsmentioning
confidence: 99%
“…9c). 107 They found that the binding N to Re and Co can signicantly reduce the heat of dissociative adsorption of N 2 in the cases of Re 1 /Co(0001), Re 2 / Co(0001), and Re(0001). As a result, the specic TOF on the basis of Re 1 /Co(0001), Re 2 /Co(0001), and the plane Re(0001) changed in the order of 8.0 × 10 3 , 32.0, and 1.0, respectively.…”
Section: Single-atom/dimer Alloy Catalystsmentioning
confidence: 99%