Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis

The rational design of heterointerfaces with optimized charge dynamics and defect engineering remains pivotal for developing advanced non-noble metal-based electrocatalysts for water splitting. A comparative study of NiCo<sub>2</sub>S<sub>4</sub>–MoS<sub>2</sub> h...

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Main Authors: Ziteng Song, Yuan Liu, Peng Yin, Jie Dai, Yingying Xu, Rongming Wang, Sibin Duan
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Nanomaterials
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Online Access:https://www.mdpi.com/2079-4991/15/14/1061
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author Ziteng Song
Yuan Liu
Peng Yin
Jie Dai
Yingying Xu
Rongming Wang
Sibin Duan
author_facet Ziteng Song
Yuan Liu
Peng Yin
Jie Dai
Yingying Xu
Rongming Wang
Sibin Duan
author_sort Ziteng Song
collection DOAJ
description The rational design of heterointerfaces with optimized charge dynamics and defect engineering remains pivotal for developing advanced non-noble metal-based electrocatalysts for water splitting. A comparative study of NiCo<sub>2</sub>S<sub>4</sub>–MoS<sub>2</sub> heterostructures was conducted to elucidate the impact of interfacial architecture and defect engineering on hydrogen evolution reaction (HER) performance. A core@shell NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> heterostructure was synthesized via a facile hydrothermal growth method, inducing lattice distortion and strong interfacial coupling, while supported NiCo<sub>2</sub>S<sub>4</sub>/MoS<sub>2</sub> heterostructures were prepared by ultrasonic-assisted deposition. A detailed structural and spectroscopic characterization and theoretical calculation demonstrated that the core@shell configuration promotes charge redistribution across the NiCo<sub>2</sub>S<sub>4</sub>–MoS<sub>2</sub> interface and generates abundant sulfur vacancies, thereby increasing the density of electroactive sites. Electrochemical measurements reveal that NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> markedly outperforms the supported heterostructure, single-component NiCo<sub>2</sub>S<sub>4</sub>, and MoS<sub>2</sub> when serving as the HER catalyst in acid solution. These findings establish a dual-optimization strategy—combining interfacial design with vacancy modulation—that provides a generalizable paradigm for the deliberate design of high-efficiency non-noble metal-based electrocatalysts for water splitting reactions.
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spelling doaj-art-fb115f1e5b04459b9799bdd37701332a2025-08-20T03:56:45ZengMDPI AGNanomaterials2079-49912025-07-011514106110.3390/nano15141061Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER ElectrocatalysisZiteng Song0Yuan Liu1Peng Yin2Jie Dai3Yingying Xu4Rongming Wang5Sibin Duan6Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, The State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, The State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, The State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, The State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, The State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, The State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, The State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, ChinaThe rational design of heterointerfaces with optimized charge dynamics and defect engineering remains pivotal for developing advanced non-noble metal-based electrocatalysts for water splitting. A comparative study of NiCo<sub>2</sub>S<sub>4</sub>–MoS<sub>2</sub> heterostructures was conducted to elucidate the impact of interfacial architecture and defect engineering on hydrogen evolution reaction (HER) performance. A core@shell NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> heterostructure was synthesized via a facile hydrothermal growth method, inducing lattice distortion and strong interfacial coupling, while supported NiCo<sub>2</sub>S<sub>4</sub>/MoS<sub>2</sub> heterostructures were prepared by ultrasonic-assisted deposition. A detailed structural and spectroscopic characterization and theoretical calculation demonstrated that the core@shell configuration promotes charge redistribution across the NiCo<sub>2</sub>S<sub>4</sub>–MoS<sub>2</sub> interface and generates abundant sulfur vacancies, thereby increasing the density of electroactive sites. Electrochemical measurements reveal that NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> markedly outperforms the supported heterostructure, single-component NiCo<sub>2</sub>S<sub>4</sub>, and MoS<sub>2</sub> when serving as the HER catalyst in acid solution. These findings establish a dual-optimization strategy—combining interfacial design with vacancy modulation—that provides a generalizable paradigm for the deliberate design of high-efficiency non-noble metal-based electrocatalysts for water splitting reactions.https://www.mdpi.com/2079-4991/15/14/1061heterostructurecore@shell nanostructuresulfur vacanciesinterface engineering
spellingShingle Ziteng Song
Yuan Liu
Peng Yin
Jie Dai
Yingying Xu
Rongming Wang
Sibin Duan
Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis
Nanomaterials
heterostructure
core@shell nanostructure
sulfur vacancies
interface engineering
title Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis
title_full Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis
title_fullStr Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis
title_full_unstemmed Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis
title_short Constructing Sulfur Vacancy-Rich NiCo<sub>2</sub>S<sub>4</sub>@MoS<sub>2</sub> Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis
title_sort constructing sulfur vacancy rich nico sub 2 sub s sub 4 sub mos sub 2 sub core shell heterostructure via interface engineering for enhanced her electrocatalysis
topic heterostructure
core@shell nanostructure
sulfur vacancies
interface engineering
url https://www.mdpi.com/2079-4991/15/14/1061
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