期刊
NATURE CATALYSIS
卷 5, 期 3, 页码 222-230出版社
NATURE PORTFOLIO
DOI: 10.1038/s41929-022-00754-x
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资金
- Netherlands Organisation for Scientific Research (NWO)-Vici [16.130.344]
- European Research Council under the European Union's Horizon 2020 research and innovation programme (ERC-2014-CoG) [648991]
- initiative 'Computational Sciences for Energy Research' from Shell
- NWO [15CSTT05]
- NWO Exact and Natural Sciences
- European Research Council (ERC) [648991] Funding Source: European Research Council (ERC)
This article introduces a transition-metal-free catalyst-potassium hydride-intercalated graphite, which can activate dinitrogen at lower temperatures and pressures, and shows comparable performance to classical noble metal catalysts in ammonia synthesis reactions.
Due to the high energy needed to break the N N bond (945 kJ mol(-1)), a key step in ammonia production is the activation of dinitrogen, which in industry requires the use of transition metal catalysts such as iron (Fe) or ruthenium (Ru), in combination with high temperatures and pressures. Here we demonstrate a transition-metal-free catalyst-potassium hydride-intercalated graphite (KH0.19C24)-that can activate dinitrogen at very moderate temperatures and pressures. The catalyst catalyses NH3 synthesis at atmospheric pressure and achieves NH3 productivity (mu mol(NH)(3) g(cat)(-1) h(-1)) comparable to the classical noble metal catalyst Ru/MgO at temperatures of 250-400 degrees C and 1 MPa. Both experimental and computational calculation results demonstrate that nanoconfinement of potassium hydride between the graphene layers is crucial for the activation and conversion of dinitrogen. Hydride in the catalyst participates in the hydrogenation step to form NH3. This work shows the promise of light metal hydride materials in the catalysis of ammonia synthesis.
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