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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2026 · IF 9.6

Phase reconstruction of Ni2P/NiSe2 heterostructure with co doping as bifunctional electrocatalyst for boosting overall water splitting

Yanyan Wu,Yingnan Dou,Yan Wang,Mingrun Song,Quying Bi,Ying Li,Bo Wei

Co doped Ni 2 P/NiSe 2 nanowires is rationally prepared for water splitting in alkaline media. • Reconstruction process and the active species changes are discussed by in situ Raman. • Partial reconstructed product shows excellent activity and stability for OER. • DFT reveal that Co site is active site for OER and Ni-Co dual sites are favorable for HER. • Co doped Ni 2 P/NiSe 2 exhibits extraordinary bifunctional electrocatalytic performance with robust stability. Designing efficient and low-cost bifunctional electrocatalysts is critical for advancing the practical application of water electrolysis for hydrogen production. Herein, we propose a dual modulation strategy to construct Co doped Ni 2 P/NiSe 2 Heterogeneous electrocatalysts (Co-Ni 2 P/NiSe 2 ) with staggered structure for boosting alkaline water splitting. Operando Raman spectroscopy was employed to monitor the evolution of active species, revealing that Co doping facilitates the phase transition of Co-Ni 2 P/NiSe 2 from β-NiOOH to γ-NiOOH under operando electrochemical conditions. Density functional theory (DFT) calculations further clarify the origin of active site in Co-Ni 2 P/NiSe 2 , demonstrating that the Co site promotes the oxygen evolution reaction (OER), whereas the Co-Ni dual sites exhibit superior activity toward the hydrogen evolution reaction (HER). The reconstructed Co-Ni 2 P/NiSe 2 exhibits a low overpotentials of 218 and 108 mV at 10 mA cm −2 for OER and HER, respectively. Furthermore, the two-electrode electrolyzer needs a low cell voltage of 1.47 V at 10 mA cm −2 and maintains exceptional durability for over 500 h at 100 mA cm −2 . This work presents a novel mechanistic insight into the design of promising bifunctional electrocatalyst. Download: Download high-res image (113KB) Download: Download full-size image

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Materials Today Physics · 2025 · IF 9.7

Electron-delocalization-engineered hydrangea-like BNC@NiO/NiSe2 triple heterojunctions towards synergistic energy storage and hydrogen evolution

Wenqi Guo,Guangping Yang,Tianxiang Yang,Yali Tuo,Zhiguo Wang,Xiaorong Xu,Chaowei Luo,Haoyi Chen,Tianyi Zhang,Changcheng Chen,Sining Yun

Due to the urgent demand for clean energy transitions, the development of bifunctional electrode materials with efficient energy storage and conversion capabilities has become a priority. This paper presents a novel nanohydrangea-like BNC@NiO/NiSe 2 composite with triple-phase heterointerfaces fabricated using boric acid-modified ZIF-8-derived B/N co-doped porous carbon (BNC) and a controlled selenization strategy. The heterogeneous structural design facilitated interfacial electron delocalization and constructed a three-phase built-in electric field, optimizing electron transport paths and active site distribution, and improving the charge transfer efficiency. The 3D porous BNC matrix effectively prevented NiO/NiSe 2 nanosheet aggregation, whereas interfacial charge redistribution significantly enhanced the conductivity and reaction kinetics. As a supercapacitor electrode, BNC@NiO/NiSe 2 delivered a high specific capacitance of 862 F g −1 at 1 A g −1 and maintained 416 F g −1 at 20 A g −1 (retaining 70.8 % capacity after 2000 cycles). For the hydrogen evolution reaction, BNC@NiO/NiSe 2 achieved a low overpotential ( η 10 ) of 126 mV with a Tafel slope of 74 mV dec −1 , demonstrating 100 h stability. Density functional theory (DFT) calculations revealed that heterogeneous interfaces promoted electron delocalization and facilitated the formation of directional built-in electric fields through electron density differences, synergistically optimizing the redox kinetics and charge transfer efficiency. This study provides new insights into the design and use of heterojunction materials as high-performance, stable bifunctional electrodes.

CAS / MDL: 10196-18-6 693-98-1
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ENERGY & FUELS · 2024 · IF 5.2

Facile Construction of Ultrathin V-Doped NiSe2/Ni3Se4/CuSe Nanosheets for Enhanced Urea-Assisted Electrochemical Hydrogen Production

Yuying Feng,Wene Du,Jiahui Jiang,Ting Zhao,Guancheng Xu,Li Zhang

Hydrogen production by electrolytic water is a green technology, which is conducive to alleviating the current severe energy and environmental crisis. However, it is affected by the high oxygen evolution reaction (OER) potential and has high energy consumption. Replacing the OER with the urea oxidation reaction (UOR) can reduce energy consumption. Herein, V-doped bimetallic selenides with an ultrathin nanosheet structure catalyst (V–NiSe2/Ni3Se4/CuSe/NF) are prepared via hydrothermal and low-temperature selenization. The catalyst has excellent UOR activity with a low potential of 1.33 V at 100 mA cm–2 and remarkable stability (120 h at 10 mA cm–2). Electrochemical measurements and characterization indicate that the abundant interface formed by NiSe2/Ni3Se4 and CuSe can induce charge transfer, thereby improving the catalytic activity and stability of the electrode material. V doping promotes the formation of ultrathin nanosheets with folds, which favors expanding the catalyst’s active site and the contact region between the catalyst and the electrolyte, thus improving the catalytic activity. In situ Raman measurement further proves that V doping is beneficial to the surface reconstruction of the catalyst and accelerates the reaction kinetics of UOR. This work offers a new idea for the preparation of highly active UOR electrodes.

CAS / MDL: 7718-98-1
研究领域: 材料科学 · 电化学
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Nano Research · 2020 ·Vol. 14 ·期 8 ·2574-2583 · IF 8.183

Favorable anion adsorption/desorption of high rate NiSe2 nanosheets/hollow mesoporous carbon for battery-supercapacitor hybrid devices

Zhao Xiaojuan,Wan Houzhao,Liang Pei,Wang Nengze,Wang Cong,Gan Yi,Chen Xu,Tan Qiuyang,Liu Xiang,Zhang Jun,Wang Yi,Wang Hanbin,Wang Hao

High-rate battery-type cathode materials have attracted wide attention for advanced battery-supercapacitor hybrid (BSH) devices. Herein, a core-shell structure of the hollow mesoporous carbon spheres (HMCS) supported NiSe 2 nanosheets (HMCS/NiSe 2 ) is constructed through two-step reactions. The HMCS/NiSe 2 shows a max specific capacity of 1,153.5 C·g −1 at the current density of 1 A·g −1 , and can remain at 774.5 C·g −1 even at 40 A·g −1 (the retention rate as high as 67.1%) and then the HMCS/NiSe 2 electrode can keep 80.5% specific capacity after 5,000 cycles at a current density of 10 A·g −1 . Moreover, the density functional theory (DFT) calculation confirmed that the introduction HMCS into NiSe 2 made adsorption/desorption of OH − easier, which can achieve higher rate capability. The HMCS/NiSe 2 //6 M KOH//HMCS hybrid device has energy density of 47.15 Wh·kg −1 and power density of 801.8 W·kg −1 . This work provides a feasible electrode material with a high rate and its preparation method for high energy density and power density energy storage devices.

CAS / MDL: 7782-49-2
研究领域: 材料科学 · 电化学
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2025 · IF 8.3

Dual-phase NiSe–NiSe2 constructs rapid hydrogen evolution channels by phase control achieve high-performance water electrolysis catalyst

Jueshuo Fan,Lisha Shen,Chenglin Zhao,Zhida Wang,Zhiming Tu,Jiaxuan Hu,Changfeng Yan

With the growing global demand for clean energy, water electrolysis for hydrogen production is seen as an efficient method for generating clean energy. The interface between two phases possesses special catalytic activity due to large lattice mismatches and strain concentration. It's a challenge to precisely tailor the multiphase interfaces of catalysts. Herein, the phase interface of NiSe–NiSe 2 was precisely controlled through a hydrothermal method. NiSe 2 crystals are uniformly distributed on NiSe nanosheets and form heterojunction structures. This uniformly distributed interfaces significantly improve the catalyst's Hydrogen evolution reaction (HER) performance, achieving an overpotential of only 32 mV and a Tafel slope of 39.83 mV dec −1 at 10 mA cm −2 in 1 M KOH. The dual-phase interface induces electronic reconfiguration and the elevated d-band center of Ni, resulting in selective adsorption of H∗ and non-adsorption of H 2 O and OH − at the interface, which facilitates H∗ adsorption and H 2 desorption, thereby creating numerous rapid hydrogen evolution channels. Additionally, an anion exchange membrane water electrolyzer was assembled using NiSe–NiSe 2 as the cathode, which achieved a current density of 1 A cm −2 at 1.92 V in a 1 M KOH solution. This approach of introducing a special hydrogen evolution interface through composite dual-phase structures is promising for future low-energy, high-efficiency water electrolysis for hydrogen production.

CAS / MDL: 12125-01-8
研究领域: 材料科学 · 能源化学 · 催化化学
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Rational design of hierarchical defect-rich NiSe2/Se-NiCuOx heterostructures: Modulating electronic structure for exceptional ammonia oxidation performance

Guang-Lan Li,Tian-Ge Ma,Yu-Hui Shi,Fei Deng,Ri-Yang Huang,Yang Yan,Qing Mao,Yushan Li,Yonghou Xiao

Direct ammonia oxidation reaction (AOR) is a promising route for efficiently removing ammonia-nitrogen from wastewater. However, the sluggish kinetics and poor N 2 selectivity present significant challenges for AOR catalysts. Herein, a novel cost-effective hierarchical catalyst was constructed by selenizing NiCuO x nanorods on nickel foam support (NiSe 2 /Se-NiCuO x /NF) via the hydrothermal-calcination selenization method. The selenizing procedure radically manipulates the surface structure of NiSe 2 /Se-NiCuO x /NF, enriching it with oxygen vacancy defects and heterostructures to achieve high efficiency towards AOR. Consequently, the optimal NiSe 2 /Se-NiCuO x /NF only requires 1.50 V to achieve a current density of 65 mA cm - 2 . Furthermore, the N 2 selectivity was up to 98.18% after 5 h of electrolysis. Density functional theory (DFT) calculation elucidates that the defects and heterostructures effectively facilitates electron transfer between NiSe 2 and Cu 2 O, significantly reduces the energy barrier of the rate-determining step (RDS) of O-S mechanism. This work demonstrates the feasibility of metallic selenides as efficient electrocatalysts for AOR.

CAS / MDL: 7782-49-2
研究领域: 材料科学 · 环境科学 · 电催化
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Science China-Materials · 2026 · IF 7.7

Promotion of efficient chlorine evolution reaction by d-p hybrid orbitals in hollow porous CoNiSe2/NiSe2 nanosheet arrays

Zhang Wen,Zhang Qiong,Zhang Ruixue,Liu Zhihao,Li Hongdong,Wu Zexing,Zhang Yang,Xu Guang-Rui,Wang Lei

The demand for Cl 2 is increasing globally, and the chlorine evolution from seawater is a promising technique in the chlor-alkali field to generate chlorine gas. Here, we constructed a novel hollow porous CoNiSe 2 /NiSe 2 nanosheet array for the electrosynthesis of chlorine in seawater-like solution. The CoNiSe 2 /NiSe 2 heterostructures were generated by ion exchange and calcination, which can improve their stability. Moreover, the formed porous hollow nanostructures show an ultra-high specific surface area due to the unique morphology and crystal structure, which can provide channels for mass transfer between the electrolyte and the surface of catalysts and expose more catalytically active sites for accelerating the reaction process. What is impressive is that the hybrid coupling of the Se 4p orbital and the Co/Ni 3d orbital in the heterointerface further reduces the reaction energy barrier of the chlorine evolution reaction (CER). The hollow porous CoNiSe 2 /NiSe 2 nanosheet arrays only exhibit an overpotential of 108 mV to reach the current density of 100 mA cm −2 in an acidic medium containing 4.0 M NaCl. Furthermore, the hollow porous CoNiSe 2 /NiSe 2 nanosheet arrays showed excellent stability and Cl 2 selectivity. The designed transition metal selenides provide a choice for the further development of non-noble metal-based catalysts in the chlor-alkali industry.

CAS / MDL: 693-98-1
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Nanoscale · 2021 ·Vol. 13 ·期 39 ·16487-16498 · IF 7.79

Metastable marcasite NiSe2 nanodendrites on carbon fiber clothes to suppress polysulfide shuttling for high-performance lithium–sulfur batteries

Jingwen Wang,Shoufu Cao,Likun Yang,Yan Zhang,Kun Xing,Xiaoqing Lu,Jun Xu

The incorporation of catalytic components is a promising strategy to promote redox reaction kinetics and suppress polysulfide shuttling for high-performance lithium–sulfur batteries (LSBs). In this work, metastable marcasite NiSe2 nanodendrites grown on carbon fiber clothes (m-NiSe2/CFC) were synthesized to improve chemical adsorption and electrocatalytic activity towards lithium polysulfides. The multifunctional m-NiSe2/CFC film was utilized as both the interlayer and the three-dimensional (3D) current collector in LSBs. In comparison with the stable pyrite NiSe2 nanodendrite–covered CFC (p-NiSe2/CFC) counterpart, the m-NiSe2/CFC film exhibits even stronger chemisorption, higher catalytic activity and faster reaction kinetics, thereby resulting in significantly improved lithium storage performance. The Al@S/rGO@m-NiSe2/CFC cell has a high reversible capacity of 1646 mA h g−1 at 0.2C, a high QL/QH ratio of 3.00 at 0.2C, a high rate capability of 900 mA h g−1 at 4C, and an outstanding cyclic stability exhibiting a low capacity decay of 0.028% per cycle for 600 cycles at 4C. Moreover, a symmetrically sandwiched cathode of m-NiSe2/CFC@S/rGO@m-NiSe2/CFC was designed for high sulfur loading LSBs (4.5 mg cm−2) with superior electrochemical performance of 3.73 mA h cm−2 after 100 cycles at 1C rate. Our work opens up a new opportunity to enhance the electrochemical performance of LSBs by phase engineering of NiSe2 catalysts in sandwiched structural cathodes.

研究领域: 材料科学 · 电化学 · 能源存储
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2026 · IF 3.9

EDTA-Assisted Construction of NiSe2 Nanoparticles Confined in Porous N-Doped Carbon for Selective H2O2 Electrosynthesis in Alkaline Media

Fucheng Tang,Chunchuan Xu,Weifeng Yao

Hydrogen peroxide (H2O2) electrosynthesis via the two-electron oxygen reduction reaction (2e– ORR) is a promising alternative to the conventional anthraquinone process, but developing low-cost catalysts that simultaneously achieve high selectivity, productivity, and durability under alkaline conditions remains challenging. Herein, we report an EDTA-assisted coordination–annealing–selenization strategy for constructing NiSe2 nanoparticles confined in a porous N-doped carbon framework (NiSe2@N-C). In this design, EDTA-2Na serves as both a chelating ligand and a carbon/nitrogen source, enabling the formation of a conductive porous carbon scaffold that helps disperse NiSe2 nanoparticles and allows defect-related features to be tuned by annealing. In 0.1 M KOH, the optimized NiSe2@N-C catalyst achieves an H2O2 selectivity of up to 90% at 0.5 V vs RHE, an H2O2 production rate of 596 mmol g–1 h–1 at 0.3 V vs RHE, and a Faradaic efficiency of 85% at 0.3 V vs RHE. The catalyst also retains an H2O2 selectivity above 86% after 10,000 CV cycles under the tested conditions. Combined structural, electrochemical, and theoretical analyses suggest that annealing-governed defect-related features together with improved electrochemical accessibility contribute to the favorable 2e– ORR behavior. In addition, the relatively weak H2O2 reduction response may help suppress further peroxide loss under alkaline conditions. These results provide a useful basis for designing transition-metal selenide/carbon electrocatalysts for selective H2O2 electrosynthesis in alkaline media.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Rational construction of NiSe2/FeSe2 heterostructures with a stable solid-electrolyte interphase film for highly durable Na-ion batteries

Zhiya Lin,Zhilong Wu,Hanyi Lin,Yidan Chen,Hai Jia,Quanlin Chen,Xiaohui Huang,Shaoming Ying

Heterostructured anode materials have garnered significant attention in recent years due to their ability to optimize interfacial structures between different components. This design not only facilitates the formation of stable solid-electrolyte interphase (SEI) films but also enhances the overall electrochemical performance, including battery capacity and cycle stability. In this study, a novel N -doped carbon-modified NiSe 2 /FeSe 2 heterostructure combined with carbon nanotubes (NC@NFS/CNTs) composite was successfully synthesized via co-precipitation and gas-phase selenization. This material was subsequently applied as an anode for Na-ion batteries (NIBs). Based on the synergistic effect of the interfacial properties of the heterostructure and the highly conductive nature of CNTs, the NC@NFS/CNTs composite exhibited excellent electrochemical stability and superior long-term durability. The battery retains a capacity of 332.4 mAh g −1 after 5000 charge/discharge cycles a current density of 5 A g −1 . Moreover, the capacity retention rate remains as high as 77 % even after 10,000 cycles at an ultra-high current density of 40 A g −1 . Ex-situ XPS and XRD analyses, along with low-temperature EIS tests, demonstrate that the Na + storage properties of the NC@NFS/CNTs electrode are significantly enhanced. This improvement is primarily attributed to the heterojunction structure and the presence of highly conductive phases (CNTs and N -doped carbon layers), which effectively improve the electrode’s kinetic performance and enhance the stability of the SEI film.

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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Selenium-vacancy-engineered NiSe2-Vse@Ni-Co PBA heterojunctions with work-function-driven interfacial electron redistribution for asymmetric supercapacitors

Haiyang Zhai,Jie He,Suili Shi,Mingtang Liu,Zhiliang Jin

A pretreatment method can simultaneously achieve the removal of the surface passivation layer and vacancy engineering. • The difference in work function drives electron injection, resulting in a redistribution of electrons at the interface. • A multi-scale evidence chain verified the vacancy construction and directional charge transfer in a closed-loop manner. • Ion-intercalation pseudocapacitive storage provides high capacitance, wide voltage window, and persistent ASC performance. Owing to sluggish kinetic processes, the development of high-energy-density supercapacitors still faces major challenges. Herein, a NiSe 2 -Vse@Ni-Co PBA heterojunction synthesized through a sodium borohydride (NaBH 4 ) pretreatment-assisted assembly strategy is reported. The novelty of this work lies in the fact that the NaBH 4 treatment simultaneously depassivates the NiSe 2 surface, introduces a high density of selenium vacancies, and weakens the electrostatic repulsion between NiSe 2 and negatively charged Ni-Co PBA, thereby facilitating closer interfacial contact. Electron paramagnetic resonance (EPR) measurements confirm the successful generation of selenium vacancies. Density functional theory (DFT) calculations further reveal a pronounced work-function difference between NiSe 2 and Ni-Co PBA, while selenium vacancies increase the d-orbital states near the Fermi level in NiSe 2 -Vse. Together, these factors favour directional electron donation from the vacancy-rich NiSe 2 side to the PBA side after interfacial contact. Combined with the XPS results, this interfacial electron redistribution is consistent with the partial reduction of Co species and the markedly improved charge-transfer behaviour. As a result, the optimised electrode delivers a high specific capacitance of 1631.14 F g −1 and retains 80.37% of its initial capacitance after 5000 cycles. The assembled asymmetric supercapacitor operates stably at 1.7 V, achieving an energy density of 52.19 Wh kg −1 at a power density of 739.64 W kg −1 , and maintains 78.71% of its initial capacitance after 5500 cycles. This work shows that a simple pretreatment step can integrate surface depassivation, vacancy engineering, and work-function-driven interfacial electron redistribution into a single heterojunction system, offering a practical route to high-performance supercapacitor electrodes. Download: Download high-res image (189KB) Download: Download full-size image

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ACS Applied Materials & Interfaces · 2017 · IF 7.504

Self-Assembled Coral-like Hierarchical Architecture Constructed by NiSe2 Nanocrystals with Comparable Hydrogen-Evolution Performance of Precious Platinum Catalyst

Bo Yu,Xinqiang Wang,Fei Qi,Binjie Zheng,Jiarui He,Jie Lin,Wanli Zhang,Yanrong Li,Yuanfu Chen

For the first time, self-assembled coral-like hierarchical architecture constructed by NiSe2 nanocrystals has been synthesized via a facile one-pot DMF-solvothermal method. Compared with hydrothermally synthesized NiSe2 (H-NiSe2), the DMF-solvothermally synthesized nanocrystalline NiSe2 (DNC-NiSe2) exhibits superior performance of hydrogen evolution reaction (HER): it has a very low onset overpotential of ∼136 mV (vs RHE), a very high cathode current density of 40 mA/cm2 at ∼200 mV (vs RHE), and an excellent long-term stability; most importantly, it delivers an ultrasmall Tafel slope of 29.4 mV dec–1, which is the lowest ever reported for NiSe2-based catalysts, and even lower than that of precious platinum (Pt) catalyst (30.8 mV dec–1). The superior HER performance of DNC-NiSe2 is attributed to the unique self-assembled coral-like network, which is a benefit to form abundant active sites and facilitates the charge transportation due to the inherent high conductivity of NiSe2 nanocrystals. The DNC-NiSe2 is promising to be a viable alternative to precious metal catalysts for hydrogen evolution.

研究领域: 材料科学 · 催化化学
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