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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2024 · IF 9.4

High-valence metal sites induced by heterostructure engineering for promoting 5-hydroxymethylfurfural electrooxidation and hydrogen generation

Ningzhao Shang,Wenjiong Li,Qingyao Wu,Huafan Li,Hongchao Wang,Chun Wang,Guoyi Bai

The electrocatalytic 5-hydroxymethylfurfural (HMF) oxidation reaction coupling with hydrogen evolution reaction (HER) serves as a promising strategy to generate both high-value-added products and clean energy, which is limited by the poor catalytic efficiency of bifunctional electrocatalysts and unclear electrocatalytic mechanism for HMF oxidation reaction. Herein, we fabricate a bifunctional NiSe 2 -NiMoO 4 heterostructure nanowire electrocatalyst for the conversion of HMF to 2,5-furandicarboxylic acid (FDCA) and simultaneous H 2 production. As expected, the NiSe 2 -NiMoO 4 exhibits outstanding activity and selectivity toward HMF oxidation reaction. In particular, at a potential of 1.50 V, the yield of FDCA could reach 98 % with a faradaic efficiency of 96.5 %, as well as excellent stability. Density functional theory calculation results demonstrate that the NiSe 2 -NiMoO 4 heterostructure could tune the adsorption energy of HMF, facilitate high-valence active species formation, and enhance electronic conductivity. Furthermore, a two-electrode electrolyzer assembled using NiSe 2 -NiMoO 4 as a bifunctional catalyst requires 1.53 V to acquire a current density of 50 mA cm −2 , which is 201 mV lower than that of water electrolysis. This work provides new insights for designing multifunctional catalysts for biomass upgrading coupled with hydrogen evolution.

研究领域: 催化化学 · 能源材料科学
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JOURNAL OF POWER SOURCES · 2026 · IF 8.4

Core–shell NiSe2/NiFe PBA enables chloride-tolerant seawater electrolysis via surface reconstruction

Ke Fan,Tongxue Zhang,Shuai Liu,Wenting Cai,Nini Zhao,Xubin Zhang,Fumin Wang

The development of efficient and stable catalysts is key for alkaline water/seawater electrolysis. Herein, we report a cubic-structured NiFePBA@NiSe 2 catalyst. In 1 M KOH, it requires an overpotential of only 278 mV to reach 300 mA cm −2 with a Tafel slope of 33.5 mV dec −1 . It also shows outstanding oxygen evolution reaction (OER) performance in alkaline simulated seawater (1 M KOH + 0.5 M NaCl) and natural seawater (1 M KOH + seawater). Experimental and characterization results reveal that highly active Ni(Fe)OOH species form in situ on the catalyst surface during OER. The introduction of NiSe 2 not only facilitates electron transfer and phase transformation, but the resulting selenate (SeO 4 2− ) species effectively repel chloride ions, which is particularly beneficial for stable seawater electrolysis. Benefiting from these structural advantages, the catalyst exhibits remarkable stability of 1000 h at 500 mA cm −2 in alkaline seawater. Furthermore, two-electrode electrolyzer and membrane electrode assembly tests using this material as the anode in alkaline seawater confirm its practical application potential. This work provides a new route for designing high-performance bifunctional electrocatalysts based on interface engineering and surface reconstruction.

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CRYSTENGCOMM · 2026 · IF 2.6

Heterostructure design of CoMoS2/NiSe2-induced electric field engineering toward efficient water electrolysis

Xiaodong Cai,Qian Liao,Danhua Jiao

Rational creation of efficient, stable, and economical bifunctional electrocatalysts is highly desired for water splitting.CoMoS2/NiSe2 heterostructure electrocatalyst supported on nickel foam (NF) was successfully synthesized using a hydrothermal method. The distinctive chrysanthemum-like hierarchical architecture of CoMoS2/NiSe2 not only offers numerous accessible active sites but also enhances electrolyte diffusion and charge transfer. In a 1.0 M KOH electrolyte, the overpotentials for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) at 10 mA cm⁻² are 47 mV and 246 mV, respectively, demonstrating remarkable stability over 100 hours and excellent turnover frequency. X-ray photoelectron spectroscopy (XPS) analysis indicated that the formation of the CoMoS2/NiSe2 heterojunction facilitates interfacial electron transfer, thereby optimizing the electronic structure and augmenting the intrinsic catalytic activity. This study presents a viable method for the design of high-performance heterostructured electrocatalysts for efficient water electrolysis through interface engineering and electronic structure modulation.

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Surfaces and Interfaces · 2025 · IF 6.3

NiSe2 Coupled with MnS: A Powerful Binary Composite for High-Efficiency Supercapacitor Electrodes

Muhammad Sanaullah Shah,Zhang Zhenyu,Sohail Ahmad,Wang Shuiying,Hou Hongying,Zuo Xiaoqing,Muhammad Zia Ullah Shah

The search of an efficient and stable electrode material has led to the growing interest in using transition metal-based nanocomposites in supercapacitors. In this work introduces the NiSe 2 -MnS hybrid material synthesized by a low-cost solution to overcome the shortcomings of single-component systems to exploit dual-phase synergy. MnS was incorporated in NiSe 2 , which has good conductivity of electricity, and the combination of both leads to an electrochemical compound having enhanced performance. Effective formation of the NiSe 2 -MnS nanostructure with good integration was confirmed by careful structural and morphological studies. Electrochemical analysis revealed that the composite had a spectacular specific capacitance of 835 F/g in three- electrode system and 134 F/g in two- electrode set up. Interestingly, the electrode still had 85.1%, After 5,000 consecutive charge -discharge cycles at a current density of 8 A/g, the material still had a considerable fraction of its initial capacitance, which shows its excellent cycling stability. In general the NiSe 2 -MnS hybrid system is a cost effective but very efficient pathway to the future of energy storage.

研究领域: 材料科学 · 能量存储 · 电化学 · 纳米材料
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CHINESE JOURNAL OF CATALYSIS · 2026 · IF 17.2

O-bridged NiSe2/CQDs composite synergistically triggers interfacial electrons transfer to promote H2O2 electrosynthesis

Qianqian Xu,Haihong Zhong,Chunli Li,Rong Jiang,Yongjun Feng,Luis Alberto Estudillo-Wong

Modulating the electronic structure of electrocatalysts represents a widely employed strategy to enhance the oxygen reduction reaction (ORR) activity and H 2 O 2 selectivity, yet achieving precise control over this process remains challenging. In this work, we introduce oxygen-doped carbon quantum dots (O-CQDs) into NiSe 2 nanoparticles/nanosheets to regulate the electronic structure of Ni active sites. This optimization promotes favorable O 2 adsorption and reduces the energy barrier for • OOH formation, thereby significantly boosting the electrocatalytic production of H 2 O 2 via the two-electron (2e – ) ORR pathway. Combined spectroscopic analysis and density functional theory calculations reveal that the O-bridged interface facilitates electron transfer to surface Ni sites, strengthening O 2 adsorption in an “end-on” configuration and favoring the 2e – ORR mechanism. The resulting O-bridged NiSe 2 /CQDs catalyst exhibits outstanding 2e – ORR performance under alkaline conditions, achieving a high H 2 O 2 production rate of 7458.24 mmol g cat –1 h –1 at 31.25 mA cm –2 and a Faradaic efficiency of 92.88% at 0.5 V. The efficient degradation of the Rhodamine B and Methylene Blue is achieved by utilizing the electrolyte obtained after the H 2 O 2 electrosynthesis process as a Fenton reagent. This study demonstrates that rational tailoring of interfacial charge distribution in hybrid catalysts provides an effective strategy for enhancing catalytic performance, offering a promising design principle for advanced electrocatalysts.

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NEW JOURNAL OF CHEMISTRY · 2025 ·Vol. 49 ·期 24 ·10261-10267 · IF 2.5

Heterogeneous S-NiFe2O4@NiSe2 nanospheres for the oxygen evolution reaction with long-term stability

Fangyuan Fan,Chunlin Teng,Rongjin Zhu,Lina Zhu,Lingfei Xu,Yeshuang Du

Electrochemical water-splitting is a potential “green” approach to produce a large amount of hydrogen. However, its half reaction, the oxygen evolution reaction (OER), suffers sluggish dynamics and huge overpotential. This encumbers the energy conversion efficiency from electric energy to hydrogen energy, resulting in cost increases. Besides, rare metal catalysts such as RuO2 and IrO2 have high OER catalytic activity but they are low in reserve and expensive. Hence, exploration of highly efficient, stable and cheap transition metal-based electrocatalysts to speed up the OER rate is a rational approach. Herein, S-doped NiFe2O4@NiSe2 nanospheres supported on nickel foam were synthesized through a simple one-pot hydrothermal method. Thanks to the unique structure, large surface area, numerous active sites, incorporation of S-anion atoms and synergistic effect between different components, S-doped NiFe2O4@NiSe2 nanospheres showed extraordinarily efficient electrocatalytic activity towards the OER in alkaline medium. When the current density was 10 mA cm−2, the OER overpotential was 190 mV. Meanwhile, it exhibited excellent long-term stability and was maintained at 10 mA cm−2 for ≥94 h in a chronopotentiometry test.

CAS / MDL: 10102-18-8
研究领域: 材料科学 · 电化学 · 能源转换
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2020 ·Vol. 45 ·期 22 ·12237-12243 · IF 4.939

Tuning the electronic structure of NiSe2 nanosheets by Mn dopant for hydrogen evolution reaction

Xiaodeng Wang,Hao Tian,Mingyu Pi,Dingke Zhang,Shijian Chen

Designing earth-abundant and highly active hydrogen evolution reactions (HER) electrocatalysts is pivotal for developing renewable energies. Here, we report that Mn-doped NiSe 2 nanosheets is successfully fabricated on carbon fiber cloth by solvothermal process and followed selenide reaction, showing excellent catalytic performance for electrochemical water splitting. Benefiting from the unique electronic property modified by Mn doping and nanosheets structures, the obtained electrodes only requires low overpotential of 86 mV to achieve the current density of 10 mA/cm 2 in acid solution. Moreover, the higher normalized exchange current densities manifest that Mn doping can improve the intrinsic activity of NiSe 2 . Furthermore, first-principle calculation results manifest that Mn doping can optimize the electronic structures to reduce hydrogen adsorption energy and consequently improve the HER active. This novel method is expected to provide new chances for developing efficient catalysts for energy conversion applications.

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Journal of Energy Chemistry · 2017 · IF 2.594

Electrodeposited NiSe2 on carbon fiber cloth as a flexible electrode for high-performance supercapacitors

Quanlin Bao,Jihuai Wu,Leqing Fan,Jinhua Ge,Jia Dong,Jinbiao Jia,Jiali Zeng,Jianming Lin

A flexible electrode of nickel diselenide/carbon fiber cloth (NiSe 2 /CFC) is fabricated at room temperature by a simple and efficient electrodeposition method. Owing to NiSe 2 character of nanostructure and high conductivity, the as-synthesized electrodes possess perfect pseudocapacitive property with high specific capacitance and excellent rate capability. In three-electrode system, the electrode specific capacitance of the NiSe 2 /CFC electrode varies from 1058 F g –1 to 996.3 F g –1 at 2 A g –1 to 10 A g –1 respectively, which shows great rate capability. Moreover, the NiSe 2 electrode is assembled with an active carbon (AC) electrode to form an asymmetric supercapacitor with an extended potential window of 1.6 V. The asymmetric supercapacitor possesses an excellent energy density 32.7 Wh kg –1 with a power density 800 W kg –1 at the current density of 1 A g –1 . The nanosheet array on carbon fiber cloth with high flexibility, specific capacitance and rate capacitance render the NiSe 2 to be regarded as the promising material for the high performance superconductor.

研究领域: 材料科学 · 能源存储
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ADVANCED FUNCTIONAL MATERIALS · 2026 · IF 19.9

N-Doped Carbon-Stabilized CoSe/NiSe2 Heterojunction Toward High-Performance Supercapacitors and Photorechargeable Power Systems

Xiangyang Gao,Jingfei Zhang,Xin Liu,Shukun Yin,Yafei Zhao,Yuanzheng Zhang,Bangbang Nie,Qiyan Wang,Xiaobo Wang,Ruya Guo,Ronghan Wei

Photorechargeable power systems (PPSs) based on supercapacitors (SCs) provide a sustainable solution for alleviating the energy crisis. However, sluggish kinetics in SCs are insufficient to meet the requirements of rapid photogenerated charge storage; achieving efficient self-charging remains a challenge. Here, PPSs integrating flexible solid-state asymmetric SCs (FSASs) with N-doped carbon-stabilized CoSe/NiSe 2 heterojunction (N-C@CoSe/NiSe 2 ) and flexible solar cells (FSs) are precisely designed to achieve efficient self-charging capacity. Theoretical calculations reveal that the robust built-in electric field (BIEF) at the heterointerface accelerates electron reconstruction and enhances the affinity of OH − , thereby endowing abundant electroactive sites and fast reaction kinetics. The stable interfacial chemical bond between the N-C frame and the CoSe/NiSe 2 heterojunction significantly strengthens the BIEF while buffering volume expansion during electrochemical, improving the integral structural stability. The N-C@CoSe/NiSe 2 ingeniously combines synergistic optimization of reaction kinetics and structural stability, achieving high capacitance (2124 F g −1 ) and excellent cycling stability. The assembled FSASs deliver excellent energy storage capacity (70.8 Wh Kg −1 ). More importantly, integrated PPSs achieve a highly efficient photogenerated charge storage capacity of 4.5 V min −1 and sustainability, powering wearable electronic devices and small unmanned aircraft. This work provides scientific insights and guidance for designing robust heterogeneous and advancing the exploitation of next-generation sustainable power systems.

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Journal of Energy Storage · 2026 · IF 10.7

Heterointerface-engineered CoSe2-NiSe2@carbon nanofibers via spatial nanoconfinement for high-performance sodium-ion batteries

Yanjiao Li,Yechen Du,Aiyun Hu,Yingying Chen,Wenzheng Zhu,Jiaxiang Wang,Hongxun Yang,Hao Tian

Heterointerface engineering has emerged as a promising strategy to enhance the sluggish reaction kinetics and structural instability of conversion-type anode materials for sodium-ion batteries. Herein, a built-in electric field-enhanced CoSe 2 -NiSe 2 heterojunction embedded in flexible nitrogen-doped carbon nanofibers (CoSe 2 -NiSe 2 @CNFs) is constructed via electrospinning and selenization route. The heterointerface induces charge redistribution and accelerates ion diffusion, while the conductive and elastic CNF network effectively accommodates volume changes and maintains structural integrity. As a result, the CoSe 2 -NiSe 2 @CNFs anode achieves a high reversible capacity of 413.8 mAh g −1 at 0.2 A g −1 after 100 cycles and exhibits remarkable long-term cyclability, retaining 309.7 mAh g −1 after 1000 cycles at 1 A g −1 . The reversible conversion mechanism and interfacial stability are systematically validated through ex situ experimental measurements and DFT calculations, which confirm enhanced Na + adsorption and optimized ion transport kinetics at the heterointerface. Moreover, paired with a Na 3 V 2 (PO 4 ) 3 cathode in a full cell, it demonstrates stable cycling performance with low polarization. This work provides an integrated interface-confinement design strategy toward high-rate and a highly fatigue-resistant electrode with exceptional cycling stability.

CAS / MDL: 7782-49-2 25014-41-9
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Journal of Energy Storage · 2026 · IF 9.8

Selenium incorporation tuning toward hierarchical flower-like NiSe2@C/MoS2 for high-performance supercapacitor electrodes

Yupeng Li,Gengwei Li,Xiping Lei,Ting Yu

NiSe₂ is considered a promising electrode material due to its high theoretical specific capacity and favorable redox activity; however, its practical application is limited by poor electrical conductivity and structural instability during cycling. To overcome these limitations, a sacrificial template method was employed using Ni@C/MoS₂ as the precursor to successfully construct a series of NiSe₂@C/MoS₂ composites with varying selenization degrees. The resulting hierarchical structure exhibits excellent stability and efficiency: the carbon framework significantly enhances electron transport, while MoS₂ not only contributes additional pseudocapacitance but also synergistically improves ion diffusion efficiency. Furthermore, selenium doping effectively modulates the electronic structure and active sites, leading to optimized electrochemical performance. Systematic investigations reveal that when 2 mmol of selenium source is added, the obtained NiSe 2 @C/MoS₂-2 (denoted as NSC/MoS₂-2) electrode achieves an exceptional specific capacitance of 562.3C g −1 (1405.8 F g −1 ) at 1 A g −1 and maintains 82.7 % capacitance retention at 10 A g −1 . An asymmetric supercapacitor assembled with NSC/MoS₂-2 as the positive electrode and activated carbon as the negative electrode delivers a high energy density of 36.37 Wh/kg at a power density of 700 W/kg. This work innovatively demonstrates that precise control of the selenization degree enables the controllable growth of hierarchical NiSe₂ nanoflowers on an MOF-derived carbon framework while establishing strongly coupled heterogeneous interfaces with layered MoS₂. This integrated design markedly improves the structural stability and electrical conductivity of NiSe₂, while fully harnessing the multiple synergistic effects among NiSe₂, MoS₂, and the carbon matrix, thereby delivering comprehensive breakthroughs in specific capacity, superior rate capability, and long-term cycling stability. The strategy offers a new paradigm for the rational construction of high-performance transition metal selenide-based supercapacitor electrodes.

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JOURNAL OF ALLOYS AND COMPOUNDS · 2021 · IF 5.316

P-doped NiSe2 nanorods grown on activated carbon cloths for high-loading lithium-sulfur batteries

Liwei Shi,Wenbo Yuan,Jinglei Liu,Wenqian Zhang,Shifeng Hou,Cheng Hu

Although lithium-sulfur batteries have drawn widespread attentions due to their high energy densities at low costs, the scale-up applications are still hindered by issues such as dissolution of lithium polysulfides (LiPSs) and slow oxidation/reduction kinetics. Herein, we report a novel cathode composite composed of “moss-like” P-doped NiSe 2 arrays grown on activated carbon cloth substrates (P-NiSe 2 /ACC). Experiments and DFT calculations together suggest that P-doping enhances the electron transfers between P-NiSe 2 and LiPSs, leading to improved chemical adsorptions and catalytic effects towards the redox conversions of the active sulfur species. This effectively inhibits the shuttling of LiPSs and maximizes the utilization of sulfur towards high specific capacities and stable long-term cycling at high sulfur loadings. The strong interactions and effective catalysis of P-NiSe 2 on LiPSs also enables three-dimensional growth of Li 2 S 2 /Li 2 S on the P-NiSe 2 /ACC cathode, realizing effective accommodation of volume expansions and significant alleviation of cathode passivation. As a result, the P-NiSe 2 /ACC cathode provides a high specific capacity of 1211 mAh g −1 at 0.2 C and an outstanding high-rate performance of 679 mAh g −1 at 3 C. At the high sulfur loading of 9.9 mg cm −2 , an area capacity of 8.42 mAh cm −2 is achieved with stable cycling for 100 charge/discharge cycles.

研究领域: 材料科学 · 能源存储与转换
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