P-Orbital Bismuth Single-Atom Catalyst for Highly Effective Oxygen Electroreduction in Quasi-Solid Zinc-Air Batteries,Small

当前位置： X-MOL 学术 › Small › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

P-Orbital Bismuth Single-Atom Catalyst for Highly Effective Oxygen Electroreduction in Quasi-Solid Zinc-Air Batteries
Small ( IF 13.0 ) Pub Date : 2022-11-18 , DOI: 10.1002/smll.202205469
Daijie Deng ₁ , Suqin Wu ₁ , Henan Li ₁ , Huaming Li ₁ , Li Xu ₁

Affiliation

P-block metals have gradually been utilized to synthesize non-noble-metal catalysts for oxygen reduction reaction (ORR) due to the easily tunable localized p-orbitals and resulted versatile electronic structures. The high-density single-atom bismuth sites (Bi−NC) anchored onto nitrogen-doped three-dimensional porous carbon are proved to possess significant electrocatalytic ORR performance. Theoretical calculations unveil positively charged bismuth centers prominently improved the adsorption capacity of N-doped carbon to O₂. The p orbitals of Bi sites within Bi−NC easily generate hybrid states with p orbitals of O₂, thus promoting charge transfer and ultimately reducing the energy barrier of ORR. Benefiting from p-orbital electrons regulation of bismuth atoms, Bi−NC exhibit ORR half-wave potential of 0.86 V (vs RHE). Additionally, both liquid and quasi-solid zinc-air batteries with Bi−NC as air-cathodes achieve higher power density and specific capacity than 20 wt% Pt/C, and comparable stability and round-trip efficiency with 20 wt% Pt/C. The discovery sheds light on the theoretical and practical guidance for p-block metallic single-atom catalysts.

中文翻译：

P-轨道铋单原子催化剂用于准固态锌空气电池中的高效氧电还原

由于易于调节的局部p轨道和产生的多功能电子结构，P嵌段金属已逐渐用于合成用于氧还原反应 (ORR) 的非贵金属催化剂。锚定在氮掺杂三维多孔碳上的高密度单原子铋位点 (Bi-NC) 被证明具有显着的电催化 ORR 性能。理论计算表明，带正电荷的铋中心显着提高了 N 掺杂碳对 O ₂的吸附能力。Bi−NC 中 Bi 位点的p轨道很容易与O _2的p轨道产生混合态，从而促进电荷转移并最终降低 ORR 的能垒。受益于铋原子的p轨道电子调节，Bi-NC 表现出 0.86 V（相对于 RHE）的 ORR 半波电位。此外，与 20 wt% Pt/C 相比，以 Bi−NC 为空气阴极的液态和准固态锌空气电池均实现了更高的功率密度和比容量，以及与 20 wt% Pt/C 相当的稳定性和往返效率. 这一发现揭示了p嵌段金属单原子催化剂的理论和实践指导。

更新日期：2022-11-18

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11