2026-02-20 2026, Volume 42 Issue 1

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  • research-article
    Xinyu ZHAO, Tingting SONG, Chunbo LIU, Jing LUO, Cong WANG, Huaqiao TAN
    2026, 42 (1): 26010108. https://doi.org/724/jmolsci.2025110007

    Inspired by the structural motifs of chlorophyll, a series of bio-inspired Z-scheme heterojunction photocatalysts yPMo10V2/CoTPyP were constructed by integrating metalloporphyrin CoTPyP with H5[PMo10V2O40]·34.5H2O. The optimized 0.1PMo10V2/CoTPyP heterojunction exhibits remarkable photocatalytic CO2 reduction performance, achieving a CO production rate of 316.88 μmol·g−1·h−1, which is 3.7 times and 5.9 times higher than those of CoTPyP and H2TPyP, respectively. Systematic characterization confirms that the Z-scheme electron transfer mechanism effectively promotes charge separation while maintaining high redox capability. This work demonstrates the feasibility of mimicking natural photosynthesis through rational material design and provides valuable insights for developing efficient artificial photosynthetic systems.

  • research-article
    Rui LIU, Wei WANG, Yuhao FAN, Yunpeng WU, Yang NING, Jiawei WANG

    Aqueous zinc-ion batteries (AZIBs) have garnered increasing interest due to their high safety, low cost, environmental friendliness, and the natural abundance of zinc metal. However, practical operation is severely hindered by dendrite growth, hydrogen evolution, and interfacial side reactions at the zinc anode, which lead to poor reversibility and limited cycling stability. Interface engineering has emerged as an effective strategy to directly regulate interfacial reactions and optimize Zn plating/stripping behavior, thereby enhancing anode stability. This review systematically summarizes recent progress in zinc anode interface engineering, with emphasis on artificial solid electrolyte interphases (SEI), electrolyte/interfacial regulation, and separator modification. The design principles and underlying mechanisms of these strategies in suppressing dendrites, mitigating hydrogen evolution, and reducing interfacial side reactions are critically discussed. Finally, current challenges and future perspectives for interfacial design toward the practical deployment of AZIBs are outlined.

  • research-article
    Ziyu DENG, Ao YANG, Changyan ZHU, Min ZHANG

    The electrocatalytic co-reduction of carbon dioxide (CO2) and nitrate (NO3) to urea represents a promising dual-purpose strategy, offering a sustainable alternative to the energy-intensive Bosch-Meiser process while simultaneously mitigating environmental pollutants. This study systematically explores the catalytic performance of a series of transition-metal-doped W18O49(010) surfaces (TM-W18O49, TM = Fe, Co, Ni, Cu, Zn) for urea synthesis using first-principles calculations. Among them, Fe-doped W18O49 emerges as the most promising electrocatalyst, exhibiting superior activity with a remarkably low limiting potential of −0.46 V (compared to −0.95 V for pristine W18O49) and outstanding selectivity by effectively suppressing competing nitrate reduction and hydrogen evolution reactions. Mechanistic analysis reveals a heteronuclear dual-metal (TM-W) synergistic adsorption mechanism, in which the doped transition metal and adjacent W site collaboratively activate NO3, thereby facilitating the critical C─N bond formation. This work not only elucidates the reaction pathway and active-site synergy in Fe-W18O49, but also provides a theoretical foundation for the rational design of high-performance bimetallic oxide catalysts towards efficient electrocatalytic urea production.

  • research-article
    Dongqi WANG, Kun HUANG, Maochun ZHU, Siyue WANG, Chengyu SUN, Ange ZHANG, Shuxia LIU

    Vanadium-substituted Keggin-type polyoxometalates exhibit a higher negative charge compared to parent polyoxometalates, which not only enhances their ability to coordinate with metals but also endows them with significant potential for oxidative catalysis due to the intrinsic high oxidative catalytic capacity of vanadium. In this study, by incorporating vanadium-substituted Keggin-type polyoxometalates and sodium molybdate, an inorganic-organic hybrid compound, [Cu6(phen)6(Mo6O22)(HPMo10V2O40)·H2O] (phen = 1,10-phenanthroline), was successfully constructed under hydrothermal conditions. This compound is composed of two kinds of polyoxometalates, [PMo10V2O40]5− and [Mo6O22]8−, in which {PMo10V2} and {Mo6} represent [PMo10V2O40]5− and [Mo6O22]8−, respectively. In the catalytic epoxidation of olefins, this hybrid efficiently oxidized cyclooctene to 1,2-epoxycyclooctane within 4 hours at 35 °C using oxygen as the oxidant (conversion rate of 98.6% and a selectivity greater than 99%). Moreover, it retained high catalytic activity after five successive cycles and demonstrated broad substrate scope, effectively catalyzing the epoxidation of various olefins.

  • research-article
    Xiaoyao CHEN, Yu XIA, Shengwen PAN, Li CHEN

    The fabrication of injectable hydrogels with multiple functions and effective promotion of wound repair has a great prospect in treatment of bacterial infected wounds. Herein, we fabricated polyurethane hydrogel via a catalyst-free click reaction, in which aminoporphyrin (TPP-NH2) being covalently incorporated into a polyurethane network crosslinked with L-cystine (L-Cys) to form an injectable, self-healing levofloxacin-loaded porphyrin polyurethane hydrogel (APU-TPP-Lev gel). In weakly acidic environments, the gel released antibiotics and generated reactive oxygen species (ROS) under red light irradiation, synergistically eliminating Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) to demonstrate highly effective contact antimicrobial activity. Furthermore, the hydrogel exhibits excellent biocompatibility, significantly promoting the healing of infected wounds after injection and light exposure, indicating broad application prospects in the treatment of bacterial infected wounds.

  • research-article
    Jiahao DONG, Shisheng WANG, Yihong DING

    Strong hydrogen-bonded systems, characterized by high interaction energies, short interaction distances, and pronounced directionality, play a central role in modulating molecular structures, tuning condensed-phase properties, and sustaining biological functions. The nature of strong hydrogen bonds (SHBs) encompasses not only classical noncovalent interactions dominated by electrostatics, but also non-negligible covalent contributions arising from orbital overlap and charge transfer; moreover, their stability is often coupled to variations in chemical composition, spatial structure, and external environments. Here, we systematically survey the fundamental theories, structural and energetic characteristics, governing factors, investigative approaches, and representative applications of strong hydrogen-bonded systems. Our goal is to summarize key advances and outstanding issues in the field, and to provide guidance for the rational design and performance tuning of strong hydrogen-bonded systems in materials science, energy science, and biomolecular engineering.

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ISSN 1000-9035 (Print)
CN 22-1662/O4