Synergistic Effects of Phase Transition and Electron-Spin Regulation on the Electrocatalysis Performance of Ternary Nitride,Advanced Functional Materials

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Synergistic Effects of Phase Transition and Electron-Spin Regulation on the Electrocatalysis Performance of Ternary Nitride
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2023-03-16 , DOI: 10.1002/adfm.202300623
Jinjin Ban _{1,

2} , Hongjie Xu ₁ , Guoqin Cao ₁ , Yameng Fan _{3,

4} , Wei Kong Pang ₃ , Guosheng Shao ₁ , Junhua Hu _{1,

2}

Affiliation

Transition metal nitrides (TMNs) have great potential use in energy storage and conversion owing to tunable electronic and bonding characteristics. Novel iron rich nitrides nanoparticles anchored on the N-doped porous carbon, named as (Co_xFe_1–_x)₃N@NPC (0 ≤ x < 0.5) are designed here. The synergistic effects of phase transition and electron-spin regulation on oxygen electrocatalysis are testified. A core–shell structure of (Co_xFe_1–_x)₃N with high dispersibility is induced by an intermediate phase transition process, which significantly suppresses coarsening of the metallic nitrides. The Co incorporation regulates d-band electrons spin polarization. The t_2g⁵e_g¹ of Fe^II with the ideal e_g electron filling boosts intrinsic activity. (Co_0.17Fe_0.83)₃N@NPC with optimal cobalt content holds electronic configuration with moderate e_g electron filling (t_2g⁵e_g¹), which balances the adsorption of *O₂ and the hydrogenation of *OH, improving bifunctional catalytic performances. Both liquid and solid-state zinc–air batteries assembled based (Co_0.17Fe_0.83)₃N@NPC cathodes substantially deliver higher peak power density and remarkable energy density.

中文翻译：

相变和电子自旋调节对三元氮化物电催化性能的协同作用

过渡金属氮化物 (TMN) 具有可调的电子和键合特性，在能量存储和转换方面具有巨大的应用潜力。此处设计了锚定在 N 掺杂多孔碳上的新型富铁氮化物纳米粒子，命名为 (Co _x Fe _1–_x ) ₃ N@NPC (0 ≤ x < 0.5)。证明了相变和电子自旋调节对氧电催化的协同作用。_{(Co x} Fe _1–_x ) ₃的核壳结构具有高分散性的N是由中间相变过程诱导的，这显着抑制了金属氮化物的粗化。Co 掺入调节 d 波段电子自旋极化。具有理想电子填充的Fe ^II的 t 2g ₅^eg ₁^可提高内在活性_。(Co _0.17 Fe _0.83 ) ₃ N@NPC 具有最佳的钴含量，具有适度的e _g电子填充 ( t _2g⁵e _g^{1 ) 的电子构型，平衡了 *O}₂的吸附*OH的加氢，提高双功能催化性能。_{基于 (Co 0.17} Fe _0.83 ) ₃ N@NPC 阴极组装的液态和固态锌空气电池均显着提供更高的峰值功率密度和显着的能量密度。

更新日期：2023-03-16

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