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• W2616232236 startingPage "8275" @default.
• W2616232236 abstract "Abstract Based on the structure of the nitrogenase FeMo cofactor (FeMoco), it is reported that Fe deposited on MoS 2 2D sheets exhibits high selectivity towards the spontaneous fixation of N 2 against chemisorption of CO 2 and H 2 O. DFT predictions also indicate the ability of this material to convert N 2 into NH 3 with a maximum energy input of 1.02 eV as an activation barrier for the first proton–electron pair transfer." @default.
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• W2616232236 date "2017-05-19" @default.
• W2616232236 modified "2023-10-14" @default.
• W2616232236 title "Feasibility of N ₂ Binding and Reduction to Ammonia on Fe‐Deposited MoS ₂ 2D Sheets: A DFT Study" @default.
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• W2616232236 doi "https://doi.org/10.1002/chem.201701113" @default.
• W2616232236 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28524268" @default.
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