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JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY · 2025 · IF 14.3

Synergistic multi-heteroatom doping in carbon nitride: Harnessing a giant built-in electric field for enhanced photocatalytic H₂O₂ generation

Fan Fan,Hao Xiu,Huiting Ma,Yuting Wang,Yongpeng Cui,Wenqing Yao,Yajun Wang

Efficient separation and rapid migration of photogenerated charges are crucial for achieving high photocatalytic H₂O₂ production. In this study, a K, P, and O co-doped carbon nitride (KPOCN- x ) was synthesized through simple one-pot polymerization for efficient photocatalytic H₂O₂ production. The synergistic doping of metal and non-metal elements enhances light absorption and simultaneously promotes both in-plane and interplane photogenerated charge transfer. Induced by multi-heteroatom doping, especially the form of K bridging, the built-in electric field of KPOCN-5 increases up to 2.27 times that of undoped polymeric carbon nitride (Bulk CN), facilitating the efficient separation of photogenerated charges. Meanwhile, the rod-shaped structure shortens the migration distances of photogenerated charges, further promoting electron transfer and minimizing recombination. As a result, the H₂O₂ production rate of KPOCN-5 reached 3306.6 μmol g −1 h −1 under visible light, approximately 50 times higher than that of Bulk CN. This work highlights the construction of a giant built-in electric field as a powerful strategy for boosting the photocatalytic production of H₂O₂.

CAS / MDL: 108-78-1 877-24-7
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Nature Communications · 2025 ·Vol. 16 ·期 1 ·1-9 · IF 15.7

Interlayer-bonded Ni/MoO2 electrocatalyst for efficient hydrogen evolution reaction with stability over 6000 h at 1000 mA cm−2

Dong Anrui,Lin Gaoxin,Li Zhiheng,Wu Wen,Cao Xing,Li Wenlong,Wang Linqin,Zhao Yilong,Chen Dexin,Sun Licheng

The mechanical stability of the catalytic electrodes used for hydrogen evolution reactions (HER) is crucial for their industrial applications in anion exchange membrane water electrolysis (AEM-WE). This study develops a corrosion strategy to construct a self-supported electrocatalyst (Int-Ni/MoO 2 ) with high mechanical stability by anchoring the Ni/MoO 2 catalytic layer with a dense interlayer of MoO 2 nanoparticles. The Int-Ni/MoO 2 exhibits a strengthened homostructural interface between the interlayer and catalytic layer, preventing the detachment of the catalyst during ultrasonic treatment. The blade-shaped catalytic layer reduces bubble shock and potential fluctuations at high current densities up to −6000 mA cm −2 . As a result, the Int-Ni/MoO 2 electrode exhibits a low overpotential of 73.2 ± 14.2 mV and long-term stability for 6000 h at −1000 mA cm −2 in a 1 M KOH solution. The Int-Ni/MoO 2 assembled AEM-WE device demonstrates long-term stability at 1000 mA cm −2 for 1000 h with a very low degradation rate of 3.96 µV h −1 .

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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Enabling kinetics matching in electrocatalytic ammonia synthesis by leveraging spatially-confined Cu/Fe2O3 heterointerfaces to maximize *H supply and utilization

Mengting Liu,Fu Yang,Hongyao Zhao,Xiu Zhong,Ruiting Ni,Kwame Nana Opoku,Zhenxiao Wang,Yangping Zhang,Yanyun Wang,Feng Zeng,Yinlong Zhu,Weidong Shi

In electrochemical nitrate reduction reaction (NITRR), the generation of active hydrogen (*H) and its poor utilization in conversion of various nitrate intermediates often cause mismatched kinetics, resulting in low ammonia yield rate (YR NH3 ) and Faraday efficiency (FE NH3 ). Herein, we construct a spatially-confined Cu/Fe 2 O 3 heterointerfaces within porous carbon fiber, featuring oxygen vacancy-rich iron oxide nanoparticles (∼14.7 nm) interface-coupled well-dispersed Cu nanocrystals. The interfacial metallic copper sites with optimized interfacial electron transfer accelerate the consumption of NO 2 – through supplying the most abundant active *H to equilibrate NITRR kinetics. The easy desorption of generated NH 3 from active sites facilitates the accelerated reaction cycles by rapidly exposing the spent active sites. Correspondingly, this catalyst achieves nearly 100 % nitrate conversion, with a YR NH3 of 81.3 mg h −1 mg cat -1 , FE NH3 of 98.11 %, and 100 % NH 3 selectivity without any nitrite accumulation, outperforming most state-to-art catalysts as reported. Impressively, when nitrite acts as reactant, ammonia synthesis through nitrite reduction reaches YR NH3 of 99 mg h −1 mg cat -1 and FE NH3 of 99.44 % outperforming all the same series reported. Moreover, active *H quenching and isotope labeling experiments uncover the generation of the most abundant active *H species and their high utilization among the reported results. Density function theory (DFT) calculations further indicate the interfacial Cu/Fe 2 O 3 regulates the d-band center of the catalyst, optimizing the adsorption of nitrate and further lowering the reaction energy barrier of the decisive step (*NO→*NOH).

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INDUSTRIAL CROPS AND PRODUCTS · 2025 · IF 6.2

Molecular dynamics simulation reveal the N–Cl/N–H cycling mechanism: Long-lasting and regenerable N-halamine antibacterial cotton fabrics

Qi Zhang,Minghui Li,Zhuofan Zuo,Tianhang Zhan,Xiaoyan Li,Wei Zhang

Cotton, as one of the world’s most crucial economic crops, suffers from a markedly shortened service life of its fabrics due to microbial degradation. In this study, N-isopropylacrylamide (NIPAM) containing amide bonds was grafted onto cotton fibers via atom transfer radical polymerization (ATRP) to develop a heat-resistant and wash-durable N-halamine functionalized cotton fabric (PN@CF-Cl). The resulting material exhibited rapid and potent antibacterial activity, killing over 85 % of bacteria within 1 min of contact and achieving > 99.9 % inactivation of Staphylococcus aureus and Escherichia coli within 10 min. After 50 washing cycles at 75 °C, the antibacterial activity retention remained above 97 %. Following storage for 30 days, rechlorination restored the active chlorine content to its initial level. Even after 10 consecutive chlorination–reduction cycles, the active chlorine recovery reached 98.9 %. In addition, the fabric demonstrated high hydrophobicity, air permeability, and moisture vapor transmission. Molecular dynamics (MD) simulations further validated the dynamic interconversion between N–Cl and N–H in the material, elucidating the underlying mechanism for its regenerative performance. Functionalized cotton fabrics based on the N–Cl/N–H dynamic cycling mechanism can extend product lifespan and hold significant promise for applications in medical protective equipment and smart home textiles.

CAS / MDL: 20769-85-1
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Journal of Saudi Chemical Society · 2023 · IF 5.6

Electrochemical oxidation of allylic CH bond for α, β-unsaturated ketones without peroxide

Zhong-Lin Zang,Qi Wang,Zhi-Chao Dong,Sheng-Yao Huang,Hao-Zeng Wu,Cheng-He Zhou,Gui-Xin Cai

α,β -Unsaturated ketone is one of the important building blocks of the plenty of alkaloids, spices and pharmaceutical agents. Herein, we describe a peroxide-free electrochemical strategy to realize site-selective allylic C − H oxidation for the synthesis of α,β -unsaturated ketones. This electrochemically driven oxidation exhibits a broad substrate scope. Mechanistic investigations of this reaction uncovered HOAc and H 2 O as the oxygen source to achieve peroxide-free electrochemical allylic C − H oxidation.

研究领域: 有机化学 · 电化学 · 合成化学
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MOLECULES · 2023 ·Vol. 28 ·期 10 ·4082 · IF 4.6

Visible Light-Mediated Organoboron-Catalyzed Metal-Free Synthesis of Silanols from Silanes

Jinbo Yang,Xiangxue Cao,Lanfeng Wei,Jianshu Zhang,Jinli Zhang,Ping Liu,Liang Xu,Pengfei Li

Herein, a four-coordinated organoboron compound, aminoquinoline diarylboron (AQDAB), is utilized as the photocatalyst in the oxidation of silane to silanol. This strategy effectively oxidizes Si–H bonds, affording Si–O bonds. Generally, the corresponding silanols can be obtained in moderate to good yields at room temperature under oxygen atmospheres, representing a green protocol to complement the existing preparation methods for silanols.Keywords:photocatalytic oxidation;silane;silanol;aminoquinoline diarylboron

研究领域: 有机化学 · 光化学 · 催化 · 绿色化学
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POLYMERS FOR ADVANCED TECHNOLOGIES · 2020 ·Vol. 31 ·期 5 ·1007-1018 · IF 2.578

Construction of superhydrophilic/underwater superoleophobic polydopamine-modified h-BN/poly(arylene ether nitrile) composite membrane for stable oil-water emulsions separation

Guiyuan Zhang,Yingqing Zhan,Shuangjiang He,Lianhong Zhang,Guangyong Zeng,Yu-Hsuan Chiao

Oil/water emulsion separation in harsh environments remains a big challenge. Herein, a double layered nanofibrous composite membrane was developed by assembly of polydopamine-modified hexagonal boron nitride (h-BN-PDA) onto a poly(arylene ether nitrile) (PEN) nanofibrous mat. Owing to the synergistic effect of a h-BN-PDA skin layer and a PEN nanofibrous mat supporting layer, as-prepared composite membrane exhibited high thermal stability, corrosion resistance, and superhydrophilic/underwater superoleophobic property. Consequently, the PEN composite membrane showed good antifouling performance and a high rejection ratio (>99.0%) for various oil/water emulsions. After 10 cycles, the separation flux of PEN composite membrane still reached 588.1 L/m 2 h under the operating pressure of 0.04 MPa. Furthermore, the PEN composite membrane could still achieve high separation efficiency and high flux in high-temperature (65 °C) and strongly corrosive conditions (pH = 1-13). Therefore, the stable and efficient h-BN-PDA/PEN composite membrane showed potential application for treating oily wastewater in harsh environments.

研究领域: 材料科学 · 环境工程
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ACS Nano · 2019 · IF 13.903

Sandwiching h-BN Monolayer Films between Sulfonated Poly(ether ether ketone) and Nafion for Proton Exchange Membranes with Improved Ion Selectivity

Jiaman Liu,Liwei Yu,Xingke Cai,Usman Khan,Zhengyang Cai,Jingyu Xi,Bilu Liu,Feiyu Kang

Two-dimensional (2D) hexagonal boron nitride (h-BN) has attracted great interest due to its excellent chemical and thermal stability, electrical insulating property, high proton conductivity, and good flexibility. Integration of 2D h-BN into commercial proton exchange membranes (PEMs) has the potential to improve ion selectivity while maintaining the proton conductivity of PEMs simultaneously, which has been a longstanding challenge in membrane separation technology. Until now, such attempts are only limited in mechanically exfoliated small area h-BN and in proof-of-concept devices, due to the difficulty of growing and transferring large area uniform h-BN monolayers. Here, we develop a space-confined chemical vapor deposition approach and achieve the growth of wafer-scale uniform h-BN monolayer films on Cu rolls. We further develop a Nafion functional layer assisted transfer method which effectively transfers as-grown h-BN monolayer films from the Cu roll to sulfonated poly(ether ether ketone) (SPEEK) membrane. The as-fabricated Nafion/h-BN/SPEEK sandwich structure is used as the membrane and compared with the pure SPEEK membrane for flow batteries. Results show that the sandwich membrane exhibits ion selectivity 3-fold greater than that of a pure SPEEK membrane (i.e., 32.1 × 104vs 9.7 × 104 S min cm–3). In addition, we fabricate vanadium flow batteries using the Nafion/h-BN/SPEEK sandwich membrane and find that the sandwich structure does not affect the proton transport but inhibits vanadium crossover at low current density (<120 mA cm–2) due to the selective blocking of vanadium ions by 2D h-BN. As a result, the sandwich membrane exhibits a significantly improved Coulombic efficiency and energy efficiency, ∼95% and ∼91%, respectively. Our results suggest that a functional layer/2D film/target substrate-based sandwich structure shows clear potential for future 2D material-based membranes in separation technologies.

研究领域: 材料科学 · 能源技术
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Polymer Chemistry · 2014 ·Vol. 6 ·期 9 ·1454-1464 · IF 5.368

Chitosan oligosaccharide copolymer micelles with double disulphide linkage in the backbone associated by H-bonding duplexes for targeted intracellular drug delivery

Qinglai Yang,Changyu He,Yuhong Xu,Bingya Liu,Zhifeng Shao,Zhenggang Zhu,Yongtai Hou,Bing Gong,Yu-Mei Shen

A folic acid (FA) conjugated chitosan oligosaccharide (CSO) polylactic acid (PLA) copolymer FA-CSO-PLA with double disulphide linkage in the backbone directed by H-bonding association duplex was synthesized, and its self-assembled micelles were evaluated as smart targeted drug delivery carriers. Both of the intermediates and the terminal copolymers were characterized by 1H-NMR and gel permeation chromatography (GPC). The critical micelle concentration (CMC) value is 0.045 mg mL−1 which suggests the micelles are highly stable in dilute solution. TEM and DLS further confirmed the successful formation of micelles with an average size of 61 and 100 nm, PDI of 0.209 and 0.230 for blank and DOX loaded micelles, respectively. The micelles were destructed under a reductive environment, leading to encapsulated drug release. Moreover, fluorescence microscopy demonstrated that the micelles exhibited both a passive and active targeting ability in HeLA cells due to an EPR effect and folate-mediated endocytosis. These results suggested the micelles would provide a favourable platform for constructing excellent drug delivery systems for cancer therapy.

研究领域: 药学 · 纳米技术 · 药物递送系统 · 生物医学工程
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RARE METALS · 2025 · IF 11

A Micro-Nano Flower-Like Na3V2(PO4)3@C Constructed by Polar-Driven H-Bond Engineering Toward High-Rate Sodium Storage

Xiaolei Wu,Ren Huang,Yibing Zhang,Peng Lv,Suhua Chen,Ying Bai

en The polyanionic compound Na 3 V 2 (PO 4 ) 3 (NVP) has emerged as a competitive cathode material for sodium-ion batteries (SIBs), owing to its high-voltage redox activity (3.4 V vs. the Na + /Na reference couple) and NASICON-type framework that enables superior ionic conductivity. However, the electrochemical performance of NVP is hampered by low intrinsic electronic conductivity, particularly under ultra-fast charging and long-term cycling conditions. Herein, a hierarchical micro-nano flower-like Na 3 V 2 (PO 4 ) 3 with a carbon-coating layer (HF-NVP@C) is synthesized by a facile n-propanol-assisted precipitation method. Theoretical analysis and experimental tests reveal that the polar-driven hydrogen bond engineering, manifested in the distinct molecular interaction between n-propanol and ultrapure water (characterized by a shorter O-H bond length of 1.859 Å and higher binding energy of −0.312 eV compared to methanol and ethanol counterparts), underpins the formation of the unique hierarchical micro-nano flower-like architecture. This hierarchical architecture creates an expanded interfacial area, enhances ionic transport pathways, and increases electrochemically active sites. Furthermore, a glucose-derived carbon coating (∼2 nm in thickness) uniformly adheres to the NVP surface, effectively enhancing its electronic conductivity. Thus, the constructed HF-NVP@C exhibits superior rate capability (68.1 mAh g −1 at 150C) and long-term cycling stability (58.7% capacity retention after 5000 cycles at 1C). This work proposes a viable strategy for designing high-performance polyanionic cathodes using hydrogen bond engineering. 摘要 zh 聚阴离子化合物Na 3 V 2 (PO 4 ) 3 @C(NVP)因其具有高电压氧化还原活性(相对于Na + /Na参比电对为3.4 V)以及能实现优异离子电导率的NASICON型骨架结构,已成为一种具有竞争力的钠离子电池(SIBs)正极材料。然而,由于NVP的本征电子电导率较低,导致其在超快充电和长期循环条件下的电化学性能较差。在本文中,通过一种简便的正丙醇辅助沉淀法合成了具有碳包覆层的分级微-纳花状Na 3 V 2 (PO 4 ) 3 @C(HF-NVP@C)。理论分析和实验测试表明,极性驱动的氢键工程体现在正丙醇与超纯水之间独特的分子相互作用上(其O-H键长为1.859 Å,比甲醇和乙醇对应的键长更短,结合能更高-0.312 eV),是形成这种独特分级微-纳花状结构的基础。这种分级结构扩大了活性材料的面积,增强其离子传输通道,并增加电化学活性位点。此外,葡萄糖衍生的碳涂层(约2 nm厚)均匀地附着在NVP表面,有效提高其电子电导率。因此,构建的HF-NVP@C展现出优异的倍率性能(150C下为68.1 mAh g -1 )和长期循环稳定性(1C下循环5000次后容量保持率为58.7%)。这项工作证明氢键工程设计高性能聚阴离子正极材料策略的可行,同时也为开发高性能钠离子电池正极材料提供了研究基础。

CAS / MDL: 1333-86-4
研究领域: 材料科学 · 储能 · 电化学 · 纳米材料 · 电池技术
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POLYMER COMPOSITES · 2026 · IF 4.9

Experimental and Molecular Dynamics Insights Into the Structure–Property Relationship and Tribological Mechanisms of h-BN Modified PI/CF/MoS2 Composites

Jie Chen,Qingjun Ding,Gai Zhao,Huafeng Li,Lin Yang,Guoqing Wang

Polyimide (PI)-based tribological composites containing carbon fiber (CF), molybdenum disulfide (MoS 2 ), and other solid lubricants have been extensively studied. However, the role of hexagonal boron nitride (h-BN) in regulating interfacial interactions and wear mechanisms in PI/CF/MoS 2 systems remains insufficiently understood. In this study, the effects of h-BN incorporation on the mechanical and tribological behaviors of PI/CF/MoS 2 composites were systematically investigated through experimental characterization combined with molecular dynamics (MD) simulations. The results revealed that h-BN addition improved hardness while reducing tensile strength and ductility due to the enhanced interfacial restriction and increased stress concentration. The tribological performance exhibited a non-monotonic dependence on h-BN content, with the optimal performance achieved at 5 wt.% h-BN. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) analyses suggested that an appropriate h-BN content facilitated the formation of a relatively continuous transfer film, whereas excessive h-BN promoted filler agglomeration and interfacial degradation, leading to accelerated wear. Furthermore, MD simulations suggested that the reduced molecular mobility and fractional free volume at the optimal h-BN content were consistent with enhanced interfacial stability. The combined experimental and simulation results provide qualitative insights into the role of h-BN in regulating filler dispersion, interfacial interactions, and molecular chain dynamics. These findings establish a structure–property relationship for designing high-performance multi-filler PI-based tribological composites. Highlights Hexagonal boron nitride improves the hardness but reduces tensile strength. Friction and wear are minimized at 5 wt.% hexagonal boron nitride loading. Excess hexagonal boron nitride triggers agglomeration and abrasive wear. Molecular dynamics simulations corroborate experimental wear mechanisms.

CAS / MDL: 10043-11-5
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ORGANIC & BIOMOLECULAR CHEMISTRY · 2026 · IF 2.8

Aryne-involved α-C(sp3)–H arylation of 4-aminopyrazolones via two distinct systems: dual phase-transfer catalysis and ultraviolet photochemistry

Lin Chen,Shuang Xu,Zhiming Chen

Direct α-C(sp3)−H arylation of 4-aminopyrazolones involving arynes, enabled by dual phase-transfer catalysis and ultraviolet irradiation, has been developed. The dual phase-transfer catalytic pathway powered by triaminocyclopropenium salts gave rise to the generation of structurally diverse 4-amino-4-arylpyrazolones in moderate to excellent yields, while the photochemical protocol furnished the products with moderate yields. Notably, these products are tentatively proposed as candidates for carbamate pesticides based on the preliminary structural analysis. The synthetic potentials of the methods were shown by gram-scale reactions, and the possibilities for greater structural diversity of the product were highlighted by derivatizations. The results of control experiments indicated that the timely capture of the transient arynes by the activated 4-aminopyrazolone nucleophiles is the key to the success of the reactions.

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