Chemical Research in Chinese Universities

Chemical Research in Chinese Universities Vol.42 No.1 February 2026

2026, 42(1): 0-0.

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Zeolites in CO₂ Hydrogenation: Multifunctional Roles and Advanced Modifications

YANG Jiaqi, CHEN Huanhao, PAN Run, FAN Xiaolei, OU Xiaoxia, Colin SNAPE, HE Jun

2026, 42(1): 3-17. doi:10.1007/s40242-026-5198-x

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Zeolites, as one of the most versatile classes of catalysts, exhibit remarkable potential in CO₂ chemistry and play a pivotal role in advancing the circular carbon economy. Owing to their unique physicochemical properties, zeolites serve as excellent platforms for catalytic CO₂ valorisation, particularly in hydrogenation reactions. They act as multifunctional catalyst supports, enabling the anchoring of metal active sites through diverse strategies, such as nanoparticle encapsulation and single-atom stabilisation, while also providing additional functionalities for tandem catalytic processes. Consequently, metal-zeolite catalyst systems effectively promote the conversion of CO₂ into both C₁ products (e.g., CO, CH₄, and methanol) and high-value multi-carbon products (e.g., oxygenates, olefins, and aromatics). Recent research efforts have therefore focused on enhancing these catalytic systems by tailoring zeolite characteristics, including pore structure and acidity. In this review, we present a comprehensive overview of zeolite-based CO₂ hydrogenation, highlighting the multiple roles of zeolites within metal-zeolite catalysts, the modification strategies employed, and the mechanistic insights underlying improved performance. We further discuss structure-performance correlations, assess industrial prospects, and outline future research directions. This work provides a timely overview of state-of-the-art metal-zeolite catalysts for CO₂ hydrogenation, serving as a valuable reference for the continued development of CO₂ valorisation technologies.

Solid-state NMR Investigation of Zeolite Catalysts

ZHOU Hexun, XUE Qiangqiang, HUANG Jun

2026, 42(1): 18-32. doi:10.1007/s40242-026-5263-5

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The transition toward sustainable chemical production necessitates highly efficient catalysts for both fossil fuel and biomass conversion. Zeolites, with their crystalline frameworks, tunable pore structures, and well-defined acid sites, offer unparalleled opportunities for selective catalysis in processes ranging from methanol-to-olefins (MTO) and methanol-to-aromatics (MTA) to fluid catalytic cracking (FCC) and biomass upgrading. Solid-state nuclear magnetic resonance (NMR) uniquely enables atomic-level insights into framework connectivity, acid site distribution, and host-guest interactions. This review systematically summarizes the application of various NMR methodologies for zeolite characterization, including probing Brønsted and Lewis acidity, framework topology, and porosity across diverse zeolite topologies. By highlighting these NMR-based strategies, the review provides a comprehensive guide for understanding structure-function relationships in zeolite catalysts and their rational design for sustainable chemical processes.

Zeolite, a New Intrinsic Pickering Emulsifier

CHEN Weiling, XU Li, FU Zhiming, MA Fei, JIANG Jiuxing

2026, 42(1): 33-42. doi:10.1007/s40242-026-5186-1

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This mini review charts the transformation of zeolite from classical heterogeneous catalysts into versatile, grafting-free Pickering interfacial catalysts (PICs). We first introduced the basic stabilization energy theory, which provides us with important guidelines for material design. Generally, zeolites with anisotropic morphology, i.e., layer or fibrous, tend to give higher stabilization energy, thus show more potential of intrinsic amphiphilicity. Particular attention is paid to morphology engineering: ultrathin MWW nanosheets and high-aspect-ratio TON nanofibres with the tuned acidity and zeta potential bestow their ability to stabilize the emulsion. Subsequent deposition of Pd or Pt nanoparticles converts the emulsifier into a Pickering interfacial catalyst that simultaneously stabilizes droplets and catalyzes reactions, such as hydrogenations and Suzuki-Miyaura coupling. Overall, the convergence of crystalline porosity, tunable surface chemistry and catalytic functionality positions zeolite-based PICs as a sustainable cornerstone for next-generation chemical manufacturing.

Catalyst Development and Design in Propane Dehydrogenation

LI Shiying, LI Qi, YANG Huanhuan, WANG Sen, DONG Mei, WANG Jianguo, FAN Weibin

2026, 42(1): 43-62. doi:10.1007/s40242-026-5294-y

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Light-alkane direct dehydrogenation reaction, which has received wide attention in recent years, is an important industrial technology for the petrochemical fields. There are great progresses and developments on the Pt- and/or non-noble metal-based heterogeneous catalysts for selectively activating the C—H bond with the purpose of high alkene productivity. However, the coke formation and sintering of the metal would cause the catalyst deactivation. Thus, it is still a challenge to achieve catalysts with high catalytic performance and stability. This review describes recent advances in the strategies for promoting the metal dispersion and tuning the metal electron structures: (1) introduction of promoters; (2) synthesizing the highly active single-atom sites; (3) alteration of the support properties and encapsulation of subnanometer-sized clusters into the microporous zeolites. In addition, the elimination of coke on the support can be realized by decreasing the acid sites and co-feeding other gas flows. The alternative catalysts, such as non-noble metals and metal oxides, are also summarized. The active sites, reaction pathways and deactivation mechanism over various catalysts are also discussed, which is expected to help the efficient catalyst design for high selectivity to propene products. The challenges and perspectives of catalysts on light-alkane dehydrogenation are proposed for further development.

Construction of Functional Metal-Organic Frameworks and Their Applications in the Biomedical Field

WANG Siyu, DAI Yutong, ZHANG Jing, TONG Yiling, YANG Jingru, LIU Songyao, DAI Zhifeng, MENG Xiangju

2026, 42(1): 63-83. doi:10.1007/s40242-026-5247-5

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Metal-organic frameworks (MOFs), a class of porous crystalline materials formed through the coordination-driven self-assembly of metal ions or clusters with organic ligands, have become a subject of extensive research within materials science owing to their distinctive properties, including structural tailorability, high surface area and porosity, diverse functionality, and precise chemical tunability. This review provides a systematic summary of strategies for synthesizing functional MOF materials, encompassing postsynthetic modification, surface coating, host-guest encapsulation, and the construction of core-shell architectures. A particular emphasis is placed on analyzing recent advances in the biomedical applications of MOFs, such as targeted drug delivery, antimicrobial applications, bioimaging, and wound healing. Drawing on the latest scientific developments, this work also addresses key challenges hindering the translation of MOFs, including inherent stability limitations, biosafety concerns, and scalability issues. Furthermore, it outlines promising future research directions, including the development of stimuli-responsive architectures, computational and artificial intelligence-guided discovery, and sustainable synthesis paradigms. By offering a comprehensive overview of the current research landscape and practical potential of MOFs, this review aims to support further scientific investigation and facilitate their industrial adoption.

Two-dimensional Organic-Inorganic Ti-MWW as Regenerable Catalyst for Fixed-bed Propylene Epoxidation

GONG Liangliang, GONG Xianchen, YIN Jinpeng, LI Xintong, WU Peng, XU Hao

2026, 42(1): 84-93. doi:10.1007/s40242-026-5185-2

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The direct epoxidation of propylene to propylene oxide with hydrogen peroxide, known as the HPPO process, is a highly efficient and eco-friendly route for propylene oxide production. In the present study, the three-dimensional (3D) MWW-type titanosilicate Ti-MWW in shaped form was reconstructed to a 2D organic-inorganic hybrid material through the hydrothermal treatment of piperidine (PI) solution, which serves as a highly active catalyst for the fixed-bed HPPO process. The PI hydrothermal treatment induced chemical modifications on the Ti active centers, fabricating an open hexacoordinated Ti species [Ti(OSi)₂(OH)₂(H₂O)PI], which significantly enhanced the catalytic activity. The solvent effect was also altered after the PI hydrothermal treatment, especially for methanol. In the continuous fixed-bed HPPO reaction, this 2D organic-inorganic Ti-MWW catalyst (RS-Ti-MWW) exhibited exceptional stability, achieving a lifetime of 730 h in MeCN and 216 h in MeOH, with PO selectivity exceeding 99.6% and H₂O₂ utilization above 95%. RS-TiMWW can be regenerated through calcination and the subsequent hydrothermal treatment of PI solution, and the regenerated sample remains stable for up to 730 h of continuous operation, demonstrating its strong potential for industrial application.

A New Robust Ce-Ga/H-ZSM-5 Catalyst for Enhanced Selective Catalytic Reduction of Nitric Oxide by Methane

YANG Jun, CHANG Yupeng, WU Guangjun, LI Landong

2026, 42(1): 94-104. doi:10.1007/s40242-026-5264-4

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A new robust Ce-Ga/H-ZSM-5 zeolite catalyst was developed and applied to the selective catalytic reduction of nitric oxide by methane (CH₄-SCR). By accurately regulating the modified conditions including organic acid auxiliaries (citric acid, glutamic acid and salicylic acid) and pre-treating temperatures of H₂ and O₂ prior to the experiments, good-dispersion Ce-Ga/H-ZSM-5 catalyst was acquired, which showed a perfect NO conversion to N₂ of ca. 95% at 550 ℃ under severe conditions. Strong interaction and cooperative effect between Ce and Ga were verified by means of physical-chemical characterizations. According to the results of diffuse reflectance infrared Fourier-transform spectroscopy, the surface intermediate species, such as CO, CN/NCO, N₂O and NO⁺ were investigated and discussed to understand the mechanism in-depth. As a result, the CH₄-SCR reaction over the as-prepared Ce-Ga/H-ZSM-5 catalyst seems to be viewed as a combination of NO reduction by CO and conventional CH₄-SCR process.

Direct Synthesis of ITR Zeolites with Different Compositions for the Conversion of Methanol to Propylene

FAN Kai, WU Zihan, LIU Shuo, WU Qinming, ZHANG Weiping, MENG Xiangju, XIAO Feng-Shou

2026, 42(1): 105-110. doi:10.1007/s40242-026-5255-5

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ITR zeolites display great potential in the methanol to propylene (MTP) reaction, and one of the important factors influencing performance is their composition. Notably, the relationship between the composition of ITR zeolites and MTP performance has been rarely explored. In this work, ITR zeolites with different compositions were successfully synthesized by changing chemical elements in the starting synthesis gel. Characterization results of X-ray diffraction (XRD), scanning electron microscopy (SEM), nitrogen sorption isotherms, solid magic angle spinning nuclear magnetic resonance (MAS NMR), temperature programmed desorption of ammonia (NH₃-TPD), and pyridine adsorption infrared spectroscopy (Py-IR) showed that the obtained products had similar crystallinity, morphology, and textural parameters, but exhibited different acidic properties. The introduction of boron species increased the weak and Brønsted acid sites of ITR zeolites. Catalytic tests in the MTP reaction showed that the aluminoborosilicate ITR zeolites exhibited enhanced propylene selectivity and catalyst lifetime.

Nitrogen-functionalized Zeolites for Enhanced Cobalt Decontamination

MA Zhonglin, LI Lingyi, HE Ke, ZHANG Wenqi, PENG Fu, SONG Wanrong, HE Linwei, JIANG Zhen, LI Jie, CHEN Long, WANG Shuao

2026, 42(1): 111-117. doi:10.1007/s40242-026-5261-7

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Efficient removal of radioactive cobalt ions is essential for ensuring the safety of nuclear power operations. Although natural or synthetic zeolites exhibit moderate removal performance for Co²⁺, they suffer from insufficient removal depth due to strongly relying on sole cation-exchange mechanism. To tackle this challenge, we successfully synthesized a series of nitrogen-functionalized NaA zeolites via an in situ strategy. Among them, the imidazoline-functionalized zeolite (IM-NaA) exhibits a distribution coefficient (K_d) of 3.95×10⁶ mL/g, which is an order of magnitude higher than that of pristine NaA, revealing enhanced affinity toward Co²⁺ ions. These zeolites also feature rapid adsorption kinetics and satisfied selectivity. X-Ray photoelectron spectroscopy (XPS) analysis confirms that the enhanced capture is achieved through the concurrent processes of Na⁺/Co²⁺ exchange and coordination between Co²⁺ and the functionalized nitrogen sites. This study provides an effective strategy for the rational design of zeolite-based adsorbents for the deep decontamination of cobalt ions.

Sustainable Synthesis of SAPO Molecular Sieves via Mother Liquor Recycling and Their Catalytic Performance

WANG Quanyi, LIU Zhao, FAN Dong, TIAN Peng, LIU Zhongmin

2026, 42(1): 118-126. doi:10.1007/s40242-026-5257-3

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The MTO (methanol-to-olefins) process using SAPO-34 as the active component of catalyst has been successfully industrialized on a large scale. Research on the recycling of solid and liquid waste from SAPO-34 synthesis is essential for promoting the sustainable development of the MTO process. Herein, we explored the utilization of crystallization mother liquor obtained from SAPO-34 synthesis and demonstrated its effectiveness for synthesizing both SAPO-34 and SAPO-18. For SAPO-34, under identical gel molar compositions, increasing the amount of mother liquor led to similar product Si content and Si coordination environments, but resulted in reduced crystallite sizes and decreased Si enrichment on crystal surface. In the case of SAPO-18, an increased addition of mother liquor produced materials with comparable Si content but induced a notable change in Si coordination environment from a complex mixture to a predominant Si(4Al) species. Concurrently, the crystal morphology evolved from elongated to rhombohedral crystals, consistent with the formation of an AEI/CHA intergrowth. In MTO catalytic tests, mother liquor-derived SAPO-34 showed enhanced selectivity toward ethene and propene, attributable to reduced surface Si enrichment and consequently enhanced mass transport. Meanwhile, mother liquor-derived SAPO-18 samples exhibited a prolonged catalytic lifetime and high overall selectivity toward ethene, propene, and butene.

In-situ Crystallized Zeolite/Kaolin Catalysts with Reduced Crystal Size for Enhanced Heavy Oil Cracking

ZHANG Li, QIN Yucai, LIU Honghai, HU Qingxun, LIU Huangfei, FANG Hua, ZHENG Ben, GUAN Huiming

2026, 42(1): 127-133. doi:10.1007/s40242-026-5249-3

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Reducing mass transfer and diffusion resistance of heavy oil macromolecules on catalyst surface is critical for improving the cracking performance of fluid catalytic cracking (FCC) catalysts. One effective approach is the synthesis of nano-sized zeolites, which shortens diffusion pathways and enhances catalytic efficiency. In this study, a low-cost alkaline functional additive was incorporated into an in-situ crystallization process to prepare FCC catalysts containing small-crystal Y zeolite. The effects of zeolite crystal size on texture properties and catalytic performance were systematically investigated. The resulting catalysts exhibited a distinct structure, with nano-sized Y zeolite primarily distributed in the outer layer of the microspheres. Compared with the conventional sample (ZK-T, average crystal sizes ca. 600 nm), the nanosized sample (ZK-N) showed higher crystallinity, a larger Brunauer-Emmett-Teller (BET) surface area, and a greater density of Brønsted acid sites. Adsorption experiments using macromolecular probes, together with advanced catalyst evaluation (ACE) tests, confirmed that smaller zeolite crystals significantly enhanced mass transfer and heavy oil cracking performance. These findings demonstrate that FCC catalysts performance depends not only on zeolite content but also on diffusion path length. Reducing zeolite crystal size offers a practical and scalable strategy for improving heavy oil conversion efficiency.

Probing Framework Boron Speciation and Spatial Distribution in MFI Zeolites by Solid-state NMR

LI Junze, WANG Yongxiang, BAO Han, ZENG Shuangqin, GAO Xiuzhi, HE Xiaowu, ZHENG Mingji, FENG Ningdong, WANG Qiang, XU Jun, DENG Feng

2026, 42(1): 134-142. doi:10.1007/s40242-025-5137-2

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This study utilizes advanced solid-state NMR spectroscopy to elucidate the spatial distribution, coordination behavior, and inter-nuclear interactions of boron species in B-MFI zeolites. Through ¹³C-{¹¹B} symmetry-based resonance-echo saturation-pulse double-resonance (S-RESPDOR) NMR experiment, we reveal that boron incorporation is preferentially directed by tetrapropylammonium (TPA⁺) structure-directing agents, with boron predominantly occupying both sinusoidal and straight channels rather than channel intersections. Quantitative analysis further indicates a closer proximity to terminal methyl groups of TPA⁺ in sinusoidal channels (B—C_γ': ca. 2.8 Å) (1 Å=0.1 nm) compared to straight channels (B—C_γ: ca. 3.1 Å). Upon dehydration, two-dimensional (2D)¹¹B multiple-quantum magicangle spinning (MQMAS) NMR, together with a 2D ¹H-{¹¹B} dipolarbased heteronuclear multiple quantum correlation (D-HMQC) experiment, identifies two distinct trigonal boron species, attributed to framework boron perturbed by proximal silanols, highlighting microenvironmental heterogeneity. Our findings establish that boron siting is template-directed and that dehydration induces distinct speciation, providing atomic-scale insights that are crucial for the rational desig

A High-pressure NMR Tube for PFG Diffusion Studies: Revealing the Specific Confinement in RHO Zeolite

LOU Caiyi, YE Fangxiu, XU Shutao, WEI Yingxu, LIU Zhongmin

2026, 42(1): 143-150. doi:10.1007/s40242-025-5145-2

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Diffusion is ubiquitous in nature and many technological processes, particularly in catalysis and gas separations using nanoporous materials. Interpreting the loading dependence of the self-diffusion coefficient (D_self) of guest molecules in nanopores is imperative to understanding diffusion mechanisms. Pulse gradient field (PFG) NMR is a powerful technique for measuring the D_self of target molecules under various pressures. However, the maximum pressures of commercial NMR tubes (usually<14.0 bar, 1 bar=101325 Pa) are not high enough to investigate in realistic conditions or a wider pressure range. Herein, we developed a high-pressure tube (HP tube, up to 120 bar) for accurate D_self measurements, particularly in nanoporous material systems, featuring rapid sample loading and recovery. This HP tube bypasses the pressure-resistant design of diameter reduction and is equipped with a suite of sample fill tools, facilitating quick solids loading and non-destructive recovery. Its application to methane diffusion in DNL-6 (RHO) molecular sieve reveals the specifically confined diffusion, highlighting the confinement effect of the d8r structure. The HP NMR tube was confirmed to be a safe and reliable solution for high-pressure diffusion investigation via PFG NMR. This contribution advances molecular transport understanding and enables researchers to optimize materials for energy and catalysis technologies.

Surface Diffusion Regulation of NanoZSM-5 for Catalysis Promotion on Methanol-to-propene

SHENG Zhizheng, ZHOU Jian, YE Zhaoqi, WANG Tingting, WANG Weihua, WANG Yangdong, TENG Jiawei, XIE Zaiku

2026, 42(1): 151-157. doi:10.1007/s40242-026-5280-4

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Mass transfer on surface of nano-zeolites plays an important impact on their catalytic performance. In this work, we investigated a diffusion-controlled strategy to regulate the interface effect and the dynamic behavior of guest molecules at the interface of nanoZSM-5 via chemical deposition of different silicon (Si) or tungsten (W) species, thereby affecting its performance in methanol to propylene (MTP) reaction. It was verified that only about 1% of sedimentary species form stable surface structures by binding with surface hydroxyl groups and defect hydroxyl groups. Under a pressure of 0.2—5 kPa, Si and W modification respectively increased the surface diffusion efficiency of methanol by 50% and decreased it by 60%, demonstrating the bidirectionality of the control strategy. Meanwhile, acidity and structural characterization confirmed that these properties were not strongly affected. Catalytic results showed that surface diffusion enhancement increased the selectivity of ethylene and propylene , and remained stable within 120 h. Mechanism studies have shown that the dynamics of the accumulated surface species is a key intermediate process that connects surface diffusion and catalytic performance.

Tailoring Cation Charge-to-Size Ratios in Zeolite Y for High-performance Methane/Nitrogen Separation

TAO Zeyu, TIAN Yuanmeng, SHANG Shanshan, BELMABKHOUT Youssef, SHANG Jin

2026, 42(1): 158-166. doi:10.1007/s40242-026-5270-6

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Low-concentration methane (CH₄) resources, such as coalbed methane (CBM) and coal mine methane (CMM), represent a vast but underutilized source of clean energy, primarily due to the difficulty in separating CH₄ from nitrogen (N₂). Adsorptive separation offers a promising pathway, yet conventional adsorbents suffer from limited selectivity. Here, we report a substantial improvement in the CH₄/N₂ selectivity of large-pore FAU zeolites by modulating their cations with smaller charge-tosize ratios. Combined analyses of adsorption isotherms, isosteric heats, and density functional theory (DFT) binding energies reveal that this strategy suppresses N₂ adsorption by weakening gascation electrostatic interactions, while concurrently enhancing CH₄ uptake through confinement effects that enable a CH₄ molecule to interact with multiple cations. By leveraging this strategy, Cs/TMA-Y, incorporating the cations featuring the smallest charge-to-size ratio in this study (cesium: C^s+ and tetramethylammonium: TMA+), exhibited the highest CH₄/N₂ separation factor under both static and dynamic conditions, along with excellent reusability. Notably, Cs/TMA-Y also delivered the highest CH₄/N₂ selectivity (7.5) reported to date under dynamic binary conditions (50/50, vomlue ratio). Process simulations further identified vacuum swing adsorption (VSA) as the most effective operational mode, highlighting the practical potential of this material. This study establishes a mechanistic framework for cation-controlled CH₄/N₂ separation and provides new design principles for zeolitic adsorbents targeting efficient methane upgrading. Furthermore, this strategy opens a promising pathway to enhance confinement effects in medium- and large-pore zeolites, extending their applicability to a broad range of adsorption- and catalysis-related applications.

Impact of Al Distribution on Ethylene/Ethane Selective Separation over Aluminosilicate Zeolites: A High-throughput Theoretical Study

CHEN Yaxin, LI Lin, WANG Jiaze, LI Yi

2026, 42(1): 167-175. doi:10.1007/s40242-026-5183-4

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Traditional ethylene/ethane separation methods are extremely energy-intensive and involve complex procedures. The development of more efficient and energy-saving adsorption materials is of great significance. Zeolites, with their high surface area, unique pore structure, and tunable composition, are promising cost-effective adsorbents. Doping Al atoms into zeolites increases adsorption sites and introduces extra-framework cations, which enhance ethylene selectivity. However, the effect of Al distribution on ethylene adsorption performance remains understudied. In this work, we performed high-throughput grand canonical Monte Carlo (GCMC) simulations on various zeolite configurations with different Al distributions and Si/Al ratios. Our results show that ethylene capacity and selectivity are maximized when Al atoms are both dispersed and all located within adsorption channels. We identified 52 candidate configurations with high ethylene capacity and selectivity that are superior to commercial zeolite materials. This study provides valuable theoretical guidance for designing advanced ethylene-selective separation materials.

Ethylenediamine-assisted Co-assembly Strategy: Controllable Synthesis of Nitrogen-rich Doped Hollow Porous Carbon Spheres for Supercapacitors

HUANG Jiaxing, LIU Yumeng, ZHANG Liangliang, LI Li, TAN Zhengwen, ZHANG Ling, QIAO Zhen-an

2026, 42(1): 176-183. doi:10.1007/s40242-025-5128-3

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Owing to the unique structural characteristics and heteroatom doping as electrode materials for supercapacitor application, nitrogen-doped hollow porous carbon spheres (N-HPCS) have been extensively studied. However, the synthesis of N-HPCS with high nitrogen contents above 15% (mass fraction) is still a great challenge. Herein, an ethylenediamine-assisted co-assembly strategy is used to control the self-assembly between the 2,6-diaminopyridine-glyoxal Schiff base polymer precursor and the silica template, resulting in high N-content N-HPCS. The N-HPCS renders quantitatively controllable shell thickness (7—40 nm), controllable diameter of cavity (270—620 nm), high and adjustable N content (up to 15.1%, mass fraction), as well as a high ratio of beneficial N species (44.5% pyridine N and 36.7% pyridone/pyrrole N). N-HPCS exhibits excellent properties for supercapacitors with a ratio capacitance of 335 F/g at 0.2 A/g, and almost no attenuation of specific capacitance after 3000 cycles at a current density of 5 A/g, showing excellent cycle stability. The as-synthesized N-HPCS with high surface area, hollow structure and high nitrogen content exhibits broad application prospects as an advanced energy storage material.

Research Progress of Porous Framework MOFs- and COFs-based Materials for Photocatalytic CO₂ Reduction

ZHAO Xiaona, HOU Changan, SUN Banglun, WANG Chuanjiao, WANG Danhong

2026, 42(1): 184-211. doi:10.1007/s40242-025-5152-3

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The escalating levels of carbon dioxide (CO₂) emissions present a severe threat to humanity, driving climate change with farreaching consequences for the economy, society, and the environment. Metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) have emerged as highly promising candidates for photocatalytic CO₂ reduction reaction (CO₂RR) due to their exceptional properties, including high specific surface areas, tunable structures, and broad visible-light absorption capabilities. This paper reviews the application of MOFs, COFs, and their composites in the field of photocatalytic CO₂RR, including the structural characteristics, classification, and common modification strategies of MOFs and COFs, and particularly illustrates the influence of structural characteristics on the photocatalytic CO₂RR pathway. Meanwhile, this paper summarizes the applications of MOFs, COFs, and their composites in photocatalytic reduction from CO₂ to C₁, C₂₊ or oxygen-containing compounds. In addition, this review systematically explores the key challenges faced by MOFs and COFs in the field of photocatalytic CO₂RR, and proposes effective strategies to overcome bottleneck problems, providing guidance for the future development of efficient and stable sacrificial free photocatalytic CO₂RR systems. A fundamental understanding of the structure-property relationship in these porous materials is essential for driving significant advancements in this field. By providing a comprehensive analysis, this review aims to offer valuable insights and guidance for future research and applications of MOFs, COFs, and their composites in photocatalytic CO₂ reduction.

Radical-mediated Ester Group Migration for 1,2,3-Trifunctionalization of Allyl Benzoates

WANG Ziqiang, SHAO Xin, CHEN Yasu, ZHU Chen

2026, 42(1): 212-222. doi:10.1007/s40242-025-5146-1

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Unactivated alkenes are normally regarded as unfavorable substrates in radical transformations, due to the lack of p-π conjugation that efficiently stabilizes radical intermediates. Functional group migration presents a robust strategy for radical difunctionalization of unactivated alkenes, and has made a great progress over the past few decades. However, the migration of ester group has been relatively less investigated. Herein, we disclose a copper-catalyzed ester group migration to unactivated alkene, applied for 1,2,3-trifunctionalization of allyl benzoates. A variety of α,α-difluoro-γ-hydroxy aliphatic esters are readily obtained.

Controlled Synthesis of Fe-N-C Embedded 1D Carbon Nanotube/2D Graphene for Enhanced Oxygen Reduction in Metal-Air Batteries

HE Jingzhi, XU Mengfan, ZHANG Zixuan, GUAN Jingqi, DUAN Limei, WANG Yin

2026, 42(1): 223-230. doi:10.1007/s40242-025-5054-4

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The practical applications of high-performance metal-air batteries are limited by the slow dynamics of the oxygen reduction reaction (ORR). In this work, we demonstrate a convenient method of onestep pyrolysis to synthesize a novel Fe-N-C embedded 1D carbon nanotube/2D graphene (Fe-NCNTs@Gr-N) as the electrocatalyst for enhanced ORR performances. The controlled stage temperature calcination method and ex-situ characterizations techniques were used to investigate the growth mechanism of 1D/2D hierarchical catalyst, with the results revealing that the formation of Fe₃C is the key to constructing 1D carbon nanotubes and 2D graphene during the pyrolysis process. Owing to the advantages of good electronic transfer capability and confinement microenvironment, Fe-NCNTs@Gr-N exhibits the outstanding ORR activity [onset potential of 1.04 V vs. reversible hydrogen electrode (RHE), half-wave potential of 0.82 V vs. RHE] and catalytic stability (over 20000 cycles CVs stable). For Fe-NCNTs@Gr-N based Zn-air, Al-air, and Mg-air batteries, they also achieve the exceptional performance, surpassing the Pt/C based cells. This work paves the way for the rational design of transition metal-based electrocatalysts for highly efficient, stable ORR processes and has significant implications for the development of next-generation metal-air batteries.

Microsphere-loaded Thermosensitive Hydrogel with Leptin and VEGF for Combined Radiation and Wound Injury Treatment

LI Lingfeng, WANG Bizhou, ZHAI Jianjia, WANG Bowei, LIU Zhihui

2026, 42(1): 231-243. doi:10.1007/s40242-025-5071-3

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Combined radiation and wound injury (CRWI), caused by the interaction between radiation and trauma, presents major challenges to wound healing and is a key focus in trauma and radiation medicine. This study developed a microsphereencapsulated composite hydrogel loaded with leptin (LP) and vascular endothelial growth factor (VEGF) to enhance CRWI wound healing. Drug-loaded sodium alginate (SA) microspheres were fabricated using the emulsion cross-linking method and integrated into thermosensitive Pluronic hydrogel to form the VEGF/LP-SA@P nanodelivery system. The microspheres' physicochemical properties were characterized using scanning electron microscopy (SEM), rheometry, and enzyme-linked immunosorbent assay (ELISA) kits. The results showed that the microspheres had an intact structure with uniform size distribution, LP and VEGF encapsulation efficiencies of 48.01% and 49.58%, respectively, and enabled sustained drug release over 14 d. The hydrogel exhibited a phase transition temperature of 21.2 ℃ and a rapid phase transition time of 8 s. In vitro, VEGF/LPSA@P reversed radiation-induced reductions in cell migration, oxidative stress elevation, and apoptosis. In vivo, the hydrogel accelerated CRWI wound healing and reduced scar tissue formation, likely through promoting angiogenesis, modulating collagen fiber ratios, and inhibiting apoptosis. In conclusion, VEGF/LP-SA@P shows significant potential for CRWI treatment.

Molecular Insights into the Membrane Phase Separation Influenced by Membrane/Lipid Structural Changes

NIU Jingjing, DONG Xuewei, PAN Wenyan, YUAN Bing, YANG Kai

2026, 42(1): 244-250. doi:10.1007/s40242-025-5083-z

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Cell membranes exhibit complex phase behaviors governed by intricate lipid-lipid interactions, which play pivotal roles in cellular processes, such as signaling and membrane trafficking. However, the molecular mechanisms underlying these phenomena, particularly their associations of lipid structural modifications (e.g., peroxidation) and membrane architecture (monolayer vs. bilayer), remain poorly understood. Here, we employ coarse-grained molecular dynamics simulations to systematically investigate the influence of membrane and lipid structure on phase separation. Our simulations found that monolayers exhibit stronger phase separation and higher lipid ordering than bilayers, underscoring the regulatory role of trans-bilayer coupling. Furthermore, we also found that even minor lipid structural modifications induced by peroxidation are able to enhance phase separation through three distinct mechanisms: increased lipid area, reduced diffusion coefficients, and altered cholesterol orientation. These findings provide molecular-level insights into the interplay among membrane architecture, lipid structure, and phase behavior, with potential implications for biomedical applications.

Bi and Ag Nanoclusters Dual Plasmonic-cocatalysts Decorating Bi₄Ti₃O₁₂ Perovskite for Efficient Photocatalysis

NING Lingling, YI Zhihui, ZHOU Yiyang, LI Yikun, LIU Wenping, ZHAO Jing, GUO Shutong, QIU Shengqing, TENG Yuan

2026, 42(1): 251-262. doi:10.1007/s40242-025-5084-y

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Profiting from the advantages of plasmonic metal nanoclusters in material structures, light enhancement, and superior photocatalytic performance, in this study, we elaborately design a newly Bi and Ag dual cocatalyst decorating Bi₄Ti₃O₁₂ perovskite composite for efficient photocatalytic reaction. Systematic researches reveal that the decoration of Bi and Ag nanoclusters broadens the light absorption range and promotes spatial transfer and separation of photogenerated carriers by the localized surface plasmon resonance (LSPR) effect and the formation of the Schottky-junction. In addition, the Bi and Ag cocatalysts can improve the reaction kinetics of photocatalytic glyphosate removal and hydrogen production effectively. As an encouraging result, the optimized Ag-Bi/Bi₄Ti₃O₁₂ composite exhibits considerable photocatalytic performance for glyphosate degradation and hydrogen generation; moreover, the superb recycling stabilities (approximately 97.9% and 94.4% retention rates after consecutive cycling reaction) are achieved. Significantly, this work reports, for the first time, the dual cocatalyst/Aurivillius-type bismuth layered oxide perovskite composite for photodegradation of pesticide residues and photosynthesis of hydrogen energy, which provides a new insight for the rational design of cocatalyst/perovskite composite materials to achieve efficient photocatalysis.

Enhanced Decarboxylative Sulfonylation of Cinnamic Acids to (E)-Vinyl Sulfones via Manganese-doped Mesoporous Beta Zeolite Catalyst

YE Junqing, CHENG Bin, LI Xibao, LI Sixian, CHEN Shengchun, QIAN Junfeng, CHEN Qun

2026, 42(1): 263-275. doi:10.1007/s40242-025-5085-x

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Vinyl sulfones are pivotal as chemical feedstocks and intermediates in pharmaceutical synthesis. However, current synthetic methods predominantly rely on homogeneous transition metal salt catalysts and costly organic ligands, significantly limiting their industrial feasibility. This study introduces an acidic heterogeneous Mn-Beta zeolite catalyst with a mesoporous structure, prepared via an in-situ doping method. The catalyst demonstrates remarkable efficiency in catalyzing the decarboxylative sulfonylation of cinnamic acid with sodium benzenesulfinate, achieving isolated yields of up to 86% for (E)-vinyl sulfones. Notably, the reaction exhibits a broad substrate scope and exceptional functional group tolerance. The coordination of Mn within the Mn-Beta framework plays a crucial role in reactant activation, and further in-situ XPS characterization confirms that Mn(II) species remain the key active sites throughout the catalytic transformation, ensuring consistent performance. The catalyst shows outstanding stability and can be reused multiple times without significant loss of activity. The findings presented herein offer valuable insights into the development of zeolite-based catalysts for the synthesis of vinyl sulfone compounds. It is expected that this work will inspire further advancements in the design and application of heterogeneous catalysts for sustainable and efficient chemical synthesis.

Molecular-doped Precursor Derived Porous g-C₃N₄ for Photocatalytic H₂ Production

ZHAI Binjiang, JIANG Yuzhou, ZONG Shichao, WANG Mingzhi, WANG Zixin, JIN Hui, LIU Yanbing, KANG Xing, SHI Jinwen

2026, 42(1): 276-282. doi:10.1007/s40242-025-5106-9

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Molecular design of novel precursors represents a strategic approach to mitigating severe charge recombination in g-C₃N₄. Distinct from conventional high-temperature thermal polymerization, this work develops novel precursors through lowtemperature hydrothermal assembly of melamine-cyanuric acid supramolecule with hexamethylenetetramine doping. After the calcination of modified precursors, the obtained g-C₃N₄ has a porous structure and an ultra-high specific surface area. Advanced characterizations confirm the reduced layer stacking, the disrupted π-π conjugated structure, and critically, the accelerated charge transport efficiency. Remarkably, the modified g-C₃N₄ achieves a 22 times enhancement in visible-light-driven hydrogen evolution (λ>400 nm) compared to pristine g-C₃N₄, which is among the highest improvements reported for supramolecular modified g-C₃N₄ systems. This molecular engineering strategy for precursors establishes a new approach to designing high-performance photocatalysts.

Enhanced Photocatalytic Antibiotic Degradation Through BiOBr/TiO₂ Heterojunction Engineering: Synergistic Charge Separation and Band Alignment Effects

LUO Yingqi, YANG Xiaoxiao, SUN Hejia, WANG Ning, LIU Yonghong, LI Yunfeng

2026, 42(1): 283-293. doi:10.1007/s40242-025-5108-7

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Herein, a BiOBr/TiO₂ heterojunction photocatalyst engineered via controlled solvothermal synthesis demonstrates exceptional oxytetracycline (OTC) degradation efficiency. Comprehensive characterization [scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS)] confirmed the successful formation of a BiOBr/TiO₂ heterostructure. Subsequent analyses [transient photocurrent (TPR), electrochemical impedance spectroscopy (EIS), electron paramagnetic resonance (EPR)] verified optimized band alignment, achieving 87.8% OTC removal within 90 min (a 3.39-fold enhancement over pristine BiOBr). Mechanistic studies revealed dual degradation pathways involving radicals (·O₂^-/·OH) and direct hole oxidation. The heterojunction significantly extended carrier lifetime (EIS arc radius reduced by 68%) while maintaining sufficient redox potentials. Furthermore, the catalyst exhibited robust stability (>75% efficiency after 8 cycles) and practical applicability in a simulated wastewater system. This work provides new insights and data for efficient antibiotic removal and establishes fundamental principles for heterojunction engineering in antibiotic remediation.

Efficient Photocatalytic Degradation of Sulfamethazine by Carboxylic CNT-decorated Bi₂O₃/Bi₂WO₆ Heterojunction Catalysts

SUN Jialiu, REN Yi, DAI Meng, LI Hongsheng, YU Huijun, WANG Sen, HE Zuoli, WANG Shuguang

2026, 42(1): 294-304. doi:10.1007/s40242-025-5115-8

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The persistent contamination of aquatic ecosystems by sulfonamide antibiotics, such as sulfamethazine (SMZ), poses critical challenges to environmental sustainability and human health, demanding innovative solutions for efficient pollutant removal. In this paper, we synthesized a carboxylic carbon nanotube (CNT)-decorated Bi₂O₃/Bi₂WO₆ (CNT-BO/BWO) heterojunction using the solvothermal approach, resulting in a remarkable enhancement in photocatalytic performance. The incorporation of CNT-COOH not only increased the specific surface area to 82.99 m²/g and enhanced the adsorption efficiency of sulfamethazine (SMZ) but also improved the carrier separation efficiency through the conductive network. The CNT-BO/BWO catalyst achieved 99% degradation of SMZ within 40 min (with a rate constant of 0.1238 min^-1), demonstrating the effectiveness of the interface engineering and conductivity enhancement strategies. Through systematic mechanism analysis, we elucidated the adsorption-catalysis synergy, where CNTs simultaneously concentrate pollutant molecules and accelerate interfacial electron transfer, establishing a new representative for designing Z-scheme heterojunction systems. This work provides fundamental insights into multifunctional catalyst engineering for addressing emerging contaminants while advancing sustainable water remediation technologies.

Holmium-engineered Graphitic Carbon Nitride via Molten Salt Synthesis for CO₂ Photoreduction

XIE Siying, GAO Renwu, YI Zhichao, GONG Kun, HUANG Weiya, LU Kangqiang, YU Changlin, YANG Kai

2026, 42(1): 305-313. doi:10.1007/s40242-025-5118-5

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Under the impetus of the "dual carbon" strategy, photocatalytic CO₂ reduction technology has attracted significant attention due to its sustainable characteristics. In this study, holmium-doping graphitic carbon nitride (Ho/g-C₃N₄) photocatalysts were synthesized via a molten salt method and investigated for enhanced CO₂ photoreduction. The incorporation of Ho into the g-C₃N₄ can induce an increase in specific surface area and a red-shift in absorption edge from 474 nm to 488 nm with a reduced bandgap from 2.72 eV to 2.33 eV. The optimal 3%Ho/g-C₃N₄ exhibits an exceptional CO production rate of 74.1 μmol·g^-1·h^-1 with 92.6% selectivity under visible light irradiation (λ>420 nm). Mott-Schottky measurement indicates a 120 mV negative shift in conduction band potential (–0.59 V vs. RHE). This enhancement in photocatalytic performance can be attributed to the created localized states within the bandgap for promoting electron transitions, the improved charge separation, the enhanced light absorption and the intensified reducing capacity, which facilitate the overall reaction process. This work provides the reference for developing efficient CO₂ reduction photocatalysts.

Epoxy Group-tuned Co-N₄ Active Sites on Graphyne for High-efficiency Hydrogen Peroxide Production

REN Yi, LIU Shizhe, LI Shilong, ZHU Yinxiao, LIU Yang, GAO Shuyan

2026, 42(1): 314-322. doi:10.1007/s40242-025-5120-y

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The green electrochemical synthesis of hydrogen peroxide (H₂O₂) through two-electron oxygen reduction reaction (2e^- ORR) urgently requires catalysts with high selectivity and stability. Regulating the electronic structure and stable anchoring of molecular catalysts is an effective strategy to achieve this goal. Based on this, this research focuses on the anchoring effect of oxidized graphyne (GYO) on cobalt phthalocyanine (CoPc) and the regulation mechanism of its epoxy group on the electronic structure of active sites, and proposes a novel GYO-CoPc composite catalyst. Through a nitric acid oxidation strategy, the GYO substrate constructs a three-dimensional porous network and abundant epoxy groups. It firmly anchors CoPc through π-π interactions and induces an electron-deficient state at the Co-N₄ center via an electron coupling effect. Characterization of morphology and physical phase confirms the precise regulation of the active site by epoxy groups, which significantly weakens the adsorption strength of the *OOH intermediate. Electrochemical tests show that GYO-CoPc achieves a H₂O₂ selectivity of 99% at 0.65 V vs. RHE, with a high yield of 7.15 mol·g^-1·h^-1 and stability of over 30 h. This work reveals new strategy for the design of carbon-based molecular catalysts and provides important references for the development of efficient two-electron oxygen reduction reaction (2e^- ORR) catalytic systems.

La Doping Towards Mesoporous Microsphere-TiNb₂O₇ as Lithium-ion Battery Anode with High Durability at Low Temperature

TANG Luxuan, DONG Enjie, WU Guolong, HU Bo, FENG Bo, WU Lina, ZHAO Hongyu, FANG Wei, CHE Guangbo

2026, 42(1): 323-333. doi:10.1007/s40242-025-5121-x

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Improving the electronic and ionic dynamics of TiNb₂O₇ (TNO) is crucial for enhancing its electrochemical properties, low-temperature performance to expand its application areas. In this paper, La_0.015-TNO mesoporous microspheres are obtained by a simple solvent-thermal method. X-Ray diffraction and high-resolution transmission electron microscopy analyses show that La doping effectively amplifies the local lattice spacing of TNO, which endows it with a high electron transport rate and an improved Li⁺ diffusion coefficient. Density functional theory calculations indicate that the excellent performance depends on the narrowing of the band gap as well as the lowering of the ionic diffusion energy barrier. The La_0.015-TNO exhibits excellent rate capabilities and durability, achieving up to 2000 cycles with a potential drop of only 0.0098% per cycle at a rate of 20 C (1 C=387.6 mA/g). A reversible capacity of 135.3 mA·h·g^-1 is attained at -35 ℃ under 0.2 C, and 110.6 mA·h·g^-1 is retained after 1100 cycles at -30 ℃ under 2 C without obvious decay. In addition, the full cell exhibits superior electrochemical performance using commercial lithium iron phosphate as the cathode, delivering 226.3 mA·h·g^-1 under 0.2 C in the first discharge.

Efficient and Stable Perovskite Solar Cells with SnO₂/TiO₂ Bilayer Electron Transport Architectures

CHENG Jiahao, YANG Yichen, WANG Lei, SHEN Wenjian, HUANG Shangwei, XU Jianlin, YAO Jun, LIANG Guijie, LI Bin, PENG Yong, LI Zaifang, LIANG Ying, LI Wangnan

2026, 42(1): 334-342. doi:10.1007/s40242-025-5124-7

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Perovskite solar cells (PSCs) have drawn widespread concern for their high efficiency and facile low-temperature solution fabrication, promising for the alternative low-cost photovoltaic energy. However, commercial deployment requires resolution of persistent stability issues and electrical hysteresis effects in PSCs. We demonstrate planar PSCs configuration using a stacked SnO₂/TiO₂ electron transport layer, which exhibits a cascade-aligned energy level, achieving an efficiency of 23.54% with a reduced hysteresis (index: 0.12) and remarkable stability (>90% efficiency retention beyond fifty days at 25% relative humidity without encapsulation). Photoluminescence and electrical characterizations suggest that the performance enhancement is ascribed to the synergetic optimization from suppressing the defective interface and promoting carrier transfer and blocking. More importantly, detailed transient absorption characterization reveals that the use of stacking n-type materials can decrease the hot-carrier cooling dynamics, improve the carrier transfer, and eliminate nonradiative recombination in PSCs. These results suggest that stacking n-type layers could enable superior overall performances compared to common electron transport layers (TiO₂ and SnO₂), providing facile routes for fabricating efficient PSCs with high stability.

In situ-illuminated XPS Investigation of S-Scheme Inorganic/Organic Hybrid Nanofiber Photocatalysts for Efficient CO₂ Photoreduction

WANG Zicong, LI Xi, LIU Yunlong, WU Xiangsi, WU Xianwen, XIA Wu

2026, 42(1): 343-350. doi:10.1007/s40242-025-5126-5

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The photocatalytic reduction of CO₂ for the production of solar fuels without sacrificing agents is an environmentally friendly and important process, with the development of high-performance photocatalysts being a key focus. An inorganic/organic semiconducting pair with an S-scheme mechanism has been incorporated in a hybrid fiber morphology designed specifically for an S-scheme heterojunction. Specifically, polydopamine (PDA) nanoparticles were synthesized within the walls of TiO₂ nanofibers through in situ self-polymerization of dopamine hydrochloride. The TiO₂@PDA composite photocatalyst with 1.0% PDA decoration exhibited the highest CO yield of 19.15 μmol·h^-1·g^-1, which was 2.6 times greater that of pure TiO₂ (7.25 μmol·h^-1·g^-1). Combining PDA and TiO₂ nanofibers arranged in an S-scheme heterojunction can be attributed to the improved light absorption and the effective charge carrier separation and transfer. Consequently, this research introduces a novel approach for developing inorganic/organic S-scheme heterojunctions with a fiber morphology to enhance CO₂ photoreduction efficiency.

Construction of WO₃/CN Z-Type Heterojunction Containing Oxygen Vacancies to Enhance Formaldehyde Degradation Efficiency and Photocatalytic Performance

SHANG Wei, CHEN Jiahui, QIAO Jianguo, YANG Xiaohang, WANG Pengpeng, LI Dumin, LI Tianxiang, ZHOU Shiyu, JIA Ruokun

2026, 42(1): 351-361. doi:10.1007/s40242-025-5135-4

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In this study, WO₃ nanorods were synthesized via acid-induced and hydrothermal methods, and WO₃/CN composites were prepared through simple thermal copolymerization. This was achieved with the objective of enhancing the formaldehyde degradation efficiency and photocatalytic dye degradation capacity of graphite-enhanced carbon nitride (CN). The composite material degraded formaldehyde 90.3% under 4 h of light irradiation, exhibiting a degradation rate that is 3.57 times that of pure CN. At the same time, the degradation of RhB was basically completed after 40 min of illumination, and the degradation rate was 3.92 times that of pure CN. The augmented photodegradation activity is ascribed to the synergistic effect of Z-type heterojunction formation and oxygen vacancy existence. This enhancement in light absorption capacity is achieved by means of an effective separation of photogenerated carrier under visible light irradiation. Moreover, oxygen vacancies furnish an abundance of active sites, thereby reducing carrier migration distances and enhancing photocatalytic activity through the promotion of carrier separation. In addition, the catalyst demonstrates exceptional stability and reproducibility, maintaining its performance over a period of four cycles.

Ni@PdNiO_x Bimetallic Synergism and Oxide Site Modulation to Boost Oxygen Electrocatalysis in Highly Durable Zn-Air Batteries

ZHANG Wen, ZHANG Ning, GAO Jianyang, LIU Fusheng, ZHANG Yang, XU Guang-Rui, WANG Lei

2026, 42(1): 362-372. doi:10.1007/s40242-025-5143-4

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Recently, zinc-air batteries have been of great interest due to their high theoretical specific energy that plays an important role in renewable energy conversion, while the sluggish kinetics of their half-reactions of oxygen reduction and oxygen evolution (ORR/OER) limit their widespread applications. Herein, we report the synthesis of self-assembly Ni@PdNiO_x seashell-like nanostructures (Ni@PdNiO_x NSs) with low Pd content through a novel one-step wet chemical method for the first time. The optimized self-assembly Ni@PdNiO_x NSs with a thickness of 2.06 nm are connected self-assembled to form a network structure, which exhibits a large surface area and unprecedented ORR/OER with a positive half-wave potential of 0.892 V vs. RHE and an overpotential of 230 mV at 10 mA/cm² in alkaline solution, outperforming most of the PdNi catalysts. When the self-assembly Ni@PdNiO_x NSs are applied as electrodes for zinc-air batteries, they deliver a high power density of 88.9 mW/cm² and an impressive energy density of 714 mA·h·g^-1. This work opens up a new strategy for generating superior oxygen electrocatalysis and provides new insight into the correlation of low Pd content and Ni in the improvement of alkaline oxygen electrocatalysis.

Effective Coactivation of CO₂ and CH₄ Gases into HCOOH and CH₃COOH Realized by Synergistic Effect in Double-atom Catalyst Based on 2D BC₃N₂

WANG Xiao, HE Chaozheng, ZHAO Chenxu

2026, 42(1): 373-380. doi:10.1007/s40242-025-5155-0

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We herein designed a double-atom catalyst based on 2D BC₃N₂ and calculated the properties of CO₂/CH₄ coactivation via density functional theory. PtM@2D-BC₃N₂ catalysts (M denotes Cr, Mo, Ti, V, and W) are first screened based on high binding strength of metal atoms and CH₄ caputre ability. In these candidates, the systems with M in IVB and VB subgroups have unfavorable adsorption oritation of *CH₃COO (*HCOO) for *CO₂-*CH₃ (*CO₂-*H) combination. In comparison, the systems with M in VIB subgroup are favourable and the reactivity of *CO₂-*CH₃ (*CO₂-*H) combination is decreased with increasing period. Finally, the PtCr@2D-BC₃N₂ is screened as the optimal catalyst. There exists a synergistic effect between Pt and Cr sites in PtCr@2D-BC₃N₂: the CH₄ can be effectively adsorbed on Cr site and will further be dissociated on Pt site with high reactivity. HCOOH can be produced in the temperature region of 34.84—66.85 ℃. While at temperatures higher than 66.85 ℃, the selectivity of CH₃COOH production is significantly higher than that of HCOOH due to the larger rate constant and ratio of atom utilization. Our study has not only clarified the potential mechanism of CO₂/CH₄ coactivation for theoretical works but also provided promising candidates for experimental works.

Propargylic Dialkyl Effect Oriented Mechanistic Dichotomy in Gold(I)-catalyzed Cycloisomerization of 1,6-Enynes

GAO Qiangqiang, LI Yi, ZHOU Qinghai, LI Jin, HUA Yuhui, LIU Guohua, LIU Rui, ZHAN Xiaotong

2026, 42(1): 381-386. doi:10.1007/s40242-025-5107-8

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