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• W3117565681 abstract "Abstract The electrocatalytic performance of nitrogen reduction reaction (NRR) is seriously hindered by the lack of cost-effective electrocatalysts with high-efficiency and high-selectivity. In this work, the NRR catalytic activity of single carbon (C) atom embedded into two-dimensional (2D) transition metal carbides (M2CO2, M = Ti, Zr, Hf, Nb, Ta, Mo, and W) with oxygen vacancy was systematically evaluated by means of comprehensive density functional theory (DFT) computations. Our results revealed that the embedded single C atom possesses good durability due to its strong interaction with metal atoms around vacancy in these MXenes. Interestingly, through high-throughput screening, the single C atoms anchored on Nb2CO2, Mo2CO2, and W2CO2 nanosheets are identified as promise NRR catalysts with high-activity due to their low limiting potentials (–0.14 to  –0.38 V) via a distal mechanism and outstanding selectivity again the competing hydrogen evolution reaction. Remarkably, the intrinsic activity of the C single atom supported by these MXenes mainly originates from the activation degree of the adsorbed N2 molecule, which is greatly dependent on the electron filling degree of pz orbital in C atom. Thus, by carefully choosing suitable substrates, the single C catalyst can be utilized as ideal NRR catalysts for NH3 synthesis." @default.
• W3117565681 created "2021-01-05" @default.
• W3117565681 creator A5011941921 @default.
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• W3117565681 creator A5075953535 @default.
• W3117565681 creator A5086445887 @default.
• W3117565681 date "2021-04-01" @default.
• W3117565681 modified "2023-10-14" @default.
• W3117565681 title "Enhanced catalytic activity of MXene for nitrogen electoreduction reaction by carbon doping" @default.
• W3117565681 cites W1945200104 @default.
• W3117565681 cites W1965752441 @default.
• W3117565681 cites W1966750682 @default.
• W3117565681 cites W1981368803 @default.
• W3117565681 cites W1997721562 @default.
• W3117565681 cites W2020023668 @default.
• W3117565681 cites W2032100925 @default.
• W3117565681 cites W2043390423 @default.
• W3117565681 cites W2044591029 @default.
• W3117565681 cites W2054021102 @default.
• W3117565681 cites W2055563809 @default.
• W3117565681 cites W2059804857 @default.
• W3117565681 cites W2060023027 @default.
• W3117565681 cites W2071955309 @default.
• W3117565681 cites W2126482965 @default.
• W3117565681 cites W2146546128 @default.
• W3117565681 cites W2148707525 @default.
• W3117565681 cites W2167035995 @default.
• W3117565681 cites W2414522883 @default.
• W3117565681 cites W2442758903 @default.
• W3117565681 cites W2460474067 @default.
• W3117565681 cites W2556334122 @default.
• W3117565681 cites W2560176924 @default.
• W3117565681 cites W2591686856 @default.
• W3117565681 cites W2729611653 @default.
• W3117565681 cites W2744886316 @default.
• W3117565681 cites W2767966656 @default.
• W3117565681 cites W2801905425 @default.
• W3117565681 cites W2802617997 @default.
• W3117565681 cites W2803313913 @default.
• W3117565681 cites W2803438242 @default.
• W3117565681 cites W2803729875 @default.
• W3117565681 cites W2809806541 @default.
• W3117565681 cites W2851584547 @default.
• W3117565681 cites W2890514702 @default.
• W3117565681 cites W2895283837 @default.
• W3117565681 cites W2898246021 @default.
• W3117565681 cites W2902944846 @default.
• W3117565681 cites W2903886624 @default.
• W3117565681 cites W2904144306 @default.
• W3117565681 cites W2905107262 @default.
• W3117565681 cites W2905180025 @default.
• W3117565681 cites W2905923089 @default.
• W3117565681 cites W2908011149 @default.
• W3117565681 cites W2911133749 @default.
• W3117565681 cites W2913075899 @default.
• W3117565681 cites W2913399789 @default.
• W3117565681 cites W2945021488 @default.
• W3117565681 cites W2947517642 @default.
• W3117565681 cites W2951677388 @default.
• W3117565681 cites W2954286745 @default.
• W3117565681 cites W2969888966 @default.
• W3117565681 cites W2974687922 @default.
• W3117565681 cites W2982410667 @default.
• W3117565681 cites W2985602298 @default.
• W3117565681 cites W2988165477 @default.
• W3117565681 cites W2991988635 @default.
• W3117565681 cites W2994703672 @default.
• W3117565681 cites W2998549400 @default.
• W3117565681 cites W3000255193 @default.
• W3117565681 cites W3003612706 @default.
• W3117565681 cites W3005120765 @default.
• W3117565681 cites W3008684299 @default.
• W3117565681 cites W3010932419 @default.
• W3117565681 cites W3013971505 @default.
• W3117565681 cites W3016473822 @default.
• W3117565681 cites W3019134343 @default.
• W3117565681 cites W3020531231 @default.
• W3117565681 cites W3022057464 @default.
• W3117565681 cites W3024365128 @default.
• W3117565681 cites W3026168533 @default.
• W3117565681 cites W3026282382 @default.
• W3117565681 cites W3027693707 @default.
• W3117565681 cites W3030589897 @default.
• W3117565681 cites W3035570871 @default.
• W3117565681 cites W3042260753 @default.
• W3117565681 cites W3048606076 @default.
• W3117565681 cites W3084128204 @default.
• W3117565681 cites W3084383103 @default.
• W3117565681 cites W3091293641 @default.
• W3117565681 cites W3093943197 @default.
• W3117565681 cites W3095541603 @default.
• W3117565681 cites W3096989831 @default.
• W3117565681 cites W4246112865 @default.
• W3117565681 doi "https://doi.org/10.1016/j.jcis.2020.12.034" @default.
• W3117565681 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33387818" @default.
• W3117565681 hasPublicationYear "2021" @default.
• W3117565681 type Work @default.

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