Engineering vacancy and hydrophobicity of two-dimensional TaTe₂ for efficient and stable electrocatalytic N₂ reduction.

The theoretical volcano plot for NRR on transition metal surfaces showed a trend that the PDS of strong N binding metal and weak N binding metal is usually ∗NH 2 + (H + + e – ) → NH 3 and ∗ + N 2 + (H + + e – ) → ∗N–NH, respectively. 39 Also, we found that ∗N–NH, the first electron transfer step, shows the highest apparent energy in the free energy diagram of V Te -TaTe 2 (–603) and TaTe 2 (010).

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