Boosting hydrogen evolution performance of nanoporous Fe-Pd alloy electrocatalyst by metastable phase engineering

IF 20.2 1区化学 Q1 CHEMISTRY, PHYSICAL

Applied Catalysis B: Environmental Pub Date : 2024-01-02 DOI:10.1016/j.apcatb.2023.123677

Zhangyi Li , Chaoyang Wang , Yanqin Liang , Hui Jiang , Shuilin Wu , Zhaoyang Li , Wence Xu , Shengli Zhu , Zhenduo Cui

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Abstract

Nanoporous Fe-Pd alloy with metastable face-centered cubic (fcc Fe-Pd) phase is prepared by electrochemical dealloying as an electrocatalyst for hydrogen evolution reaction (HER). The nanoporous fcc Fe-Pd alloy achieves an overpotential of 58 mV at 10 mA cm⁻² in 1 M KOH, outperforming those of stable body-centered cubic Fe-Pd alloy (bcc Fe-Pd) and commercial Pt/C catalyst. Density functional theory calculation reveals that the metastable fcc structure can tailor the coordination environment and electronic structure of Pd active sites in Fe-Pd alloy. As a result, the d‐band center of Pd active site shifts away from the Fermi level, which weakens the Pd-H interaction and reduces the energy barrier of water dissociation. In addition, the fcc Fe-Pd exhibits good mechanical properties, which maintains the catalytic performance in the deformation state. This work broadens the idea for designing and preparing HER catalysts via metastable phase structure design.

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通过易变相工程提升纳米多孔铁钯合金电催化剂的氢气进化性能

通过电化学脱合金法制备了具有可变面心立方（ccc Fe-Pd）相的纳米多孔 Fe-Pd 合金，作为氢进化反应（HER）的电催化剂。这种纳米多孔 fcc Fe-Pd 合金在 1 M KOH 溶液中 10 mA cm-2 的过电位为 58 mV，优于稳定的体心立方 Fe-Pd 合金（bcc Fe-Pd）和商用 Pt/C 催化剂。密度泛函理论计算表明，阶跃型 fcc 结构可以调整 Fe-Pd 合金中 Pd 活性位点的配位环境和电子结构。因此，钯活性位点的 d 带中心偏离了费米级，从而减弱了钯与水的相互作用，降低了水解离的能垒。此外，ffc Fe-Pd 还具有良好的机械性能，能在变形状态下保持催化性能。这项工作拓宽了通过可蜕变相结构设计和制备 HER 催化剂的思路。

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来源期刊

Applied Catalysis B: Environmental 环境科学-工程：化工

CiteScore

38.60

自引率

6.30%

发文量

1117

审稿时长

24 days

期刊介绍： Applied Catalysis B: Environment and Energy (formerly Applied Catalysis B: Environmental) is a journal that focuses on the transition towards cleaner and more sustainable energy sources. The journal's publications cover a wide range of topics, including: 1.Catalytic elimination of environmental pollutants such as nitrogen oxides, carbon monoxide, sulfur compounds, chlorinated and other organic compounds, and soot emitted from stationary or mobile sources. 2.Basic understanding of catalysts used in environmental pollution abatement, particularly in industrial processes. 3.All aspects of preparation, characterization, activation, deactivation, and regeneration of novel and commercially applicable environmental catalysts. 4.New catalytic routes and processes for the production of clean energy, such as hydrogen generation via catalytic fuel processing, and new catalysts and electrocatalysts for fuel cells. 5.Catalytic reactions that convert wastes into useful products. 6.Clean manufacturing techniques that replace toxic chemicals with environmentally friendly catalysts. 7.Scientific aspects of photocatalytic processes and a basic understanding of photocatalysts as applied to environmental problems. 8.New catalytic combustion technologies and catalysts. 9.New catalytic non-enzymatic transformations of biomass components. The journal is abstracted and indexed in API Abstracts, Research Alert, Chemical Abstracts, Web of Science, Theoretical Chemical Engineering Abstracts, Engineering, Technology & Applied Sciences, and others.