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Nano Research 2023, 16(10): 12116-12125 https://doi.org/10.1007/s12274-023-5453-0
Research Article | Issue | Published: 19 February 2023

W-doped FeNi2S4/Ni3S2/NF with interfacial effect as efficient bifunctional electrocatalyst for overall water splitting

Show Author's Information Jing Jiang1,2,  Hui Su1,2,  Shaojia Song1,2,  Weilong Liu1,2,  Ning Li1,2,  Yangqin Gao1,2,  Lei Ge1,2( )
State Key Laboratory of Heavy Oil Processing, College of New Energy and Materials, China University of Petroleum Beijing, Beijing 102249, China
Department of Materials Science and Engineering, College of New Energy and Materials, China University of Petroleum Beijing, Beijing 102249, China
Keywords:
density functional theory (DFT) calculation, water splitting, oxygen evolution reaction (OER), bifunctional electrocatalysts
Topics:
Catalytic
Cite this article:
Jiang J, Su H, Song S, et al. W-doped FeNi2S4/Ni3S2/NF with interfacial effect as efficient bifunctional electrocatalyst for overall water splitting. Nano Research, 2023, 16(10): 12116-12125. https://doi.org/10.1007/s12274-023-5453-0
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Abstract Full text Electronic supplementary material About this article

Given the current shortage of resources and environmental pollution, rationally designing and developing low-cost and high-efficiency bifunctional electrocatalysts is an urgent and challenging task. It is widely recognized that element doping can effectively improve the electrocatalytic activity by adjusting the microstructure, morphology, and electronic structure. Therefore, this work rationally designs and prepares three-dimensional flower-like structured W-doped FeNi2S4/Ni3S2/NF heterojunctions as efficient bifunctional electrocatalysts for overall water splitting. In 1 M KOH, the prepared W-FeNi2S4/Ni3S2/NF electrocatalyst can effectively drive both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) processes, and only needs overpotentials of 93 and 210 mV to reach current densities of 10 and 50 mA·cm−2. In the double electrode cell composed by W-FeNi2S4/Ni3S2/NF electrocatalyst, a low cell voltage of 1.52 V was required to reach a current density of 10 mA·cm−2, and 91.6% of this value was preserved after 24 h electrolysis operation. The performance of FeNi2S4/Ni3S2/NF electrocatalyst is superior to most of the current bifunctional electrocatalytic materials. Density functional theory (DFT) theoretical calculations also revealed a more intense electron transfer process that can be facilitated by constructing FeNi2S4 and Ni3S2/NF interface, which may be the main reason for the archived excellent electrochemical performance.


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Electronic supplementary material
About this article

W-doped FeNi2S4/Ni3S2/NF with interfacial effect as efficient bifunctional electrocatalyst for overall water splitting

Show Author's information Jing Jiang1,2, Hui Su1,2, Shaojia Song1,2, Weilong Liu1,2, Ning Li1,2, Yangqin Gao1,2, Lei Ge1,2( )
State Key Laboratory of Heavy Oil Processing, College of New Energy and Materials, China University of Petroleum Beijing, Beijing 102249, China
Department of Materials Science and Engineering, College of New Energy and Materials, China University of Petroleum Beijing, Beijing 102249, China

Abstract

Given the current shortage of resources and environmental pollution, rationally designing and developing low-cost and high-efficiency bifunctional electrocatalysts is an urgent and challenging task. It is widely recognized that element doping can effectively improve the electrocatalytic activity by adjusting the microstructure, morphology, and electronic structure. Therefore, this work rationally designs and prepares three-dimensional flower-like structured W-doped FeNi2S4/Ni3S2/NF heterojunctions as efficient bifunctional electrocatalysts for overall water splitting. In 1 M KOH, the prepared W-FeNi2S4/Ni3S2/NF electrocatalyst can effectively drive both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) processes, and only needs overpotentials of 93 and 210 mV to reach current densities of 10 and 50 mA·cm−2. In the double electrode cell composed by W-FeNi2S4/Ni3S2/NF electrocatalyst, a low cell voltage of 1.52 V was required to reach a current density of 10 mA·cm−2, and 91.6% of this value was preserved after 24 h electrolysis operation. The performance of FeNi2S4/Ni3S2/NF electrocatalyst is superior to most of the current bifunctional electrocatalytic materials. Density functional theory (DFT) theoretical calculations also revealed a more intense electron transfer process that can be facilitated by constructing FeNi2S4 and Ni3S2/NF interface, which may be the main reason for the archived excellent electrochemical performance.

Keywords: density functional theory (DFT) calculation, water splitting, oxygen evolution reaction (OER), bifunctional electrocatalysts

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Publication history
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Acknowledgements

Publication history

Received: 12 November 2022
Revised: 14 December 2022
Accepted: 23 December 2022
Published: 19 February 2023
Issue date: October 2023

Copyright

© Tsinghua University Press 2023

Acknowledgements

Acknowledgements

This work was financially supported by the National Key R&D Program of China (Nos. 2021YFA1501300 and 2019YFC1907602) and the National Natural Science Foundation of China (Nos. 51572295, 21273285, and 21003157).

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