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Synergistic Enhancement of Electrocatalytic Nitrogen Reductionover Few-Layer MoSe2-Decorated Ti3C2TxMXene

ACS CATALYSIS(2022)

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摘要
In this work, a few-layered MoSe2on Ti3C2TxMXene (MoSe2/Ti3C2Tx), obtained via a simple one-stephydrothermal synthesis and thermal annealing, is investigated forits potential application as an active electrochemical nitrogenreduction reaction (eNRR) catalyst. The MoSe2/Ti3C2Txcatalystachieved an NH3yield rate of 56.96 mu gh-1mgcat-1at-0.50 VvsRHE and a Faradic efficiency (FE) of 14.08% at-0.35 VvsRHEwith remarkable electrochemical stability. Meanwhile, the densityfunctional theory (DFT) calculations suggest that Mo atoms areactive sites for eNRR, and the distal pathway is the preferred routefor NH3formation on MoSe2/Ti3C2Tx.
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关键词
electrocatalysts,N2reduction reaction,Ti(3)C(2)TxMXene,few-layer MoSe2,density functional theory
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