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• W3204055903 endingPage "132694" @default.
• W3204055903 startingPage "132694" @default.
• W3204055903 abstract "Electrochemical ammonia synthesis (EAS) is considered to be an ecofriendly and sustainable method for artificial N2 fixation. It is urgent to develop cost-effective and efficient electrocatalysts for EAS because present catalysts have low activity and poor selectivity. Herein, Fe2O3 nanoparticles anchored on MoS2 nanoflowers (Fe2O3@MoS2) were developed as a highly efficient EAS electrocatalyst under ambient conditions. Electrochemical measurements indicate that Fe2O3@MoS2 achieves a remarkable NH3 yield of 112.15 μg h−1 mgcat−1 at − 0.6 V vs. reversible hydrogen electrode (RHE) and a high faradaic efficiency (FE) of 8.62% at − 0.4 V vs. RHE in 0.1 M Na2SO4, much better than the EAS performance of separate MoS2 and Fe2O3. The superior electrochemical stability is confirmed by long-term (at least 24 h) continuous tests. Density functional theory (DFT) calculations show that Fe2O3@MoS2, compared to MoS2, is better able to activate inert N2 molecules, as reflected by its greater adsorption energy (−0.32 eV vs. − 0.10 eV), greater N≡N bond distance (1.223 Å vs. 1.159 Å), lower energy barrier (0.40 eV vs. 0.78 eV), and greater charge transfer from active sites to N2 molecules (1.16 e− vs. 0.62 e−). Thus, this work provides new perspectives on the development of efficient EAS catalysts using MoS2-based materials as the substrate." @default.
• W3204055903 created "2021-10-11" @default.
• W3204055903 creator A5004877274 @default.
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• W3204055903 date "2022-02-01" @default.
• W3204055903 modified "2023-09-26" @default.
• W3204055903 title "MOF-derived Fe2O3@MoS2: An efficient electrocatalyst for ammonia synthesis under mild conditions" @default.
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• W3204055903 doi "https://doi.org/10.1016/j.cej.2021.132694" @default.
• W3204055903 hasPublicationYear "2022" @default.
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