Manipulating oxygenate adsorption on N-doped carbon by coupling with CoSn alloy for bifunctional oxygen electrocatalyst

IF 10.7 1区工程技术 Q1 CHEMISTRY, PHYSICAL

Green Energy & Environment Pub Date : 2023-10-01 DOI:10.1016/j.gee.2022.02.005

Chenlong Dong , Xilin Zhang , Shaoning Zhang , Siwei Zhao , Xueyu Lin , Xin Wang , Yajing Zhang , Fuqiang Huang

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引用次数: 3

Abstract

Highly active bifunctional oxygen electrocatalysts accelerate the development of high-performance Zn-air battery, but suffer from the mismatched activities of oxygen evolution reaction (OER) and oxygen reduced reaction (ORR). Herein, highly integrated bifunctional oxygen electrocatalysts, cobalt-tin alloys coated by nitrogen doped carbon (CoSn@NC) are prepared by MOFs-derived method. In this hybrid catalyst, the binary CoSn nanoalloys mainly contribute to highly active OER process while the Co (or Sn)−N−C serves as ORR active sites. Rational interaction between CoSn and NC donates more rapid reaction kinetics than Pt/C (ORR) and IrO₂ (OER). Such CoSn@NC holds a promise as air-cathode electrocatalyst in Zn-air battery, superior to Pt/C + IrO₂ catalyst. First-principles calculations predict that CoSn alloys can upgrade charge redistribution on NC and promote the transfer to reactants, thus optimizing the adsorption strength of oxygen-containing intermediates to boost the overall reactivity. The tuning of oxygenate adsorption by interactions between alloy and heteroatom-doped carbon can guide the design of bifunctional oxygen electrocatalysts.

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CoSn合金偶联控制含氧化合物在氮掺杂碳上的吸附制备双功能氧电催化剂

高活性双功能氧电催化剂加速了高性能锌-空气电池的发展，但存在析氧反应（OER）和氧还原反应（ORR）活性不匹配的问题。这里，高度集成的双功能氧电催化剂，氮掺杂碳涂层的钴锡合金(CoSn@NC)通过MOFs衍生的方法制备。在这种混合催化剂中，二元CoSn纳米合金主要参与高活性OER过程，而Co（或Sn）−N−C作为ORR活性位点。与Pt/C（ORR）和IrO2（OER）相比，CoSn和NC之间的合理相互作用提供了更快速的反应动力学。这样的CoSn@NC作为锌-空气电池中的空气阴极电催化剂，具有优于Pt/C+IrO2催化剂的前景。第一性原理计算预测，CoSn合金可以提高NC上的电荷再分配，促进向反应物的转移，从而优化含氧中间体的吸附强度，提高整体反应性。通过合金和杂原子掺杂碳之间的相互作用来调节含氧化合物的吸附，可以指导双功能氧电催化剂的设计。

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来源期刊

Green Energy & Environment Energy-Renewable Energy, Sustainability and the Environment

CiteScore

16.80

自引率

3.80%

发文量

332

审稿时长

12 days

期刊介绍： Green Energy & Environment (GEE) is an internationally recognized journal that undergoes a rigorous peer-review process. It focuses on interdisciplinary research related to green energy and the environment, covering a wide range of topics including biofuel and bioenergy, energy storage and networks, catalysis for sustainable processes, and materials for energy and the environment. GEE has a broad scope and encourages the submission of original and innovative research in both fundamental and engineering fields. Additionally, GEE serves as a platform for discussions, summaries, reviews, and previews of the impact of green energy on the eco-environment.