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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 13.2

Mo(SO)2 porous nanoparticles achieve effective antibacterial through electron attack on the respiratory chain

Yaqi Cui,Zulpya Mahmut,Yangdong Xie,Fangyu Shi,Jiaqi Zhou,Yaqi Zhu,Ruilin Lou,Zhenzhou Wang,Lin Xu,Lin Wang,Biao Dong

Manipulating the “bacterial current” by targeting the electron transport chain (ETC) presents a transformative antibacterial strategy, yet achieving precise targeting and elucidating the molecular mechanism remain challenging. Here, we break through the synthetic bottleneck to engineer a robust, electron-donating nanomaterial for targeted bacterial ETC disruption. A novel in-situ sulfur-doping and vacancy-engineering strategy was employed to fabricate porous Mo(SO)₂ from MoS₂, which features abundant oxygen vacancies and expanded interlayer spacing. These vacancies serve as electron-deficient centers that facilitate a rapid and strong electron donation. By functionalizing with 4-mercaptophenylboronic acid (4-MPBA) for targeting, the electrons are specifically transferred to the bacterial ETC. We systematically unveil the molecular mechanism: the donated electrons suppress the expression of ubiC , a key chorismate lyase for ubiquinone synthesis, via interaction with the guanidyl group of Arg63. This disruption halts proton pumping and ATP synthesis, leading to bacterial death via energy depletion.

CAS / MDL: 62-56-6
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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 13.2

MoS2/rGO/MXene/TiO2 composite aerogel with enhanced Mott-Schottky effect for achieving multifunctionality and broadband microwave absorption

Naixin Zhai,Zihao Wang,Zhenzhi Cheng,Lelin Xu,Wenjun Yang,Weiping Zhou,Fei Gao,Xiaojun Zeng,Guangsheng Luo

Heterointerface engineering based on the built-in electric field (BIEF) for guiding the construction of nanohybrids has emerged as a feasible strategy to enhance interfacial polarization and amplify the electromagnetic energy attenuation capability. Herein, we have designed a MoS 2 hollow nanospheres (HNS)/reduced graphene oxide (rGO)/Ti 3 C 2 T x /TiO 2 composite aerogel with multiple heterointerfaces. Comprehensive experimental characterization and density functional theory calculations, reveal that the 1T/2H-MoS 2 HNS and TiO 2 derived from the self-oxidation of Ti 3 C 2 T x serve as semiconductor phases to establish effective Mott-Schottky contacts with the conductive rGO phase, thereby constructing a double BIEFs system. Under alternating electromagnetic fields, the triggered BIEFs rationally tunes the electron transport behavior at the heterointerfaces, enhancing the polarization relaxation phenomenon. The 3D network structure of the aerogel can significantly enlarge the contact area of BIEF and enhance the Mott-Schottky effect. As anticipated, the prepared MSGM-10% composite aerogel demonstrates a maximum effective absorption bandwidth (EAB max ) value of 6.56 GHz and a minimum reflection loss (RL min ) value of −67.50 dB at an extremely low filling ratio of 1.50%. Additionally, aerogel features light weight, good hydrophobicity, and stable thermal insulation performance, showcasing remarkable environmental adaptability and promising broad application prospects in electromagnetic protection and military stealth technologies.

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Small · 2026 · IF 12.1

Sulfur-Anion-Modulated Electron Configuration of Manganese Selenide for High Performance Sodium Ion Storage

Ming Zhong,Yang Liu,Jiahui Cao,Kun Zhao,Yijing Wang

Manganese selenide (MnSe), as a typical electrode material, has garnered significant attention due to its high theoretical specific capacity and cost-effectiveness. However, persistent challenges, including sluggish reaction kinetics and inadequate cycling stability, remain to be addressed. Anion-doping-induced defect engineering is regarded as a promising strategy to achieve superior sodium storage performance by modulating the electronic configuration of MnSe. In this work, electronegative sulfur (S) is incorporated into nitrogen-rich metal-organic framework-derived MnSe via sulfuration treatment. Various characterizations and theoretical calculations reveal that doping of S into the MnSe lattice can introduce defect levels, optimize ion diffusion pathways, and reduce Na+ diffusion barrier, thereby enhancing the electrochemical performance of the MnSe anode. As expected, the optimal material exhibits excellent rate performance and long-term cyclability, delivering a specific capacity of 402.7 mAh g−1 at 2.0 A g−1 after 300 cycles and retaining 353.1 mAh g−1 after 800 cycles at 5.0 A g−1. Furthermore, ex situ X-ray diffraction patterns and X-ray photoelectron spectroscopy are employed to analyze the sodium storage mechanism.

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ADVANCED MATERIALS · 2026 · IF 26.8

Quantum to Device AI-Guided Passivation Paradigm for All-Weather Ultrastable MXene Based Photothermal Converter

Tianyang Cui,Yapeng Zheng,Wei Cai,Liangyuan Qi,Jingwen Wang,Wei Yang,Weiguo Song,Yuan Hu,Jixin Zhu

Photothermal efficiency in MXenes arises from the complex interplay between electronic structure and lattice dynamics, yet the precise contribution of electron–phonon coupling (EPC) remains poorly understood. By integrating ab initio nonadiabatic carrier-dynamics simulations with state-resolved electron–phonon-coupling analysis, the intrinsic mechanisms governing photothermal conversion in MXene materials are elucidated. Results reveal that MXene photothermal performance is dictated by an intrinsic hierarchy of EPC channels and hot-phonon accumulation, whereas defect-mediated non-radiative recombination serves as a secondary channel and ultimately compromises long-term photothermal stability. Building on this mechanistic insight, a physics-inspired and AI-assisted molecular-screening framework is developed to identify surface passivation chemistries capable of extending hot carrier lifetimes and mitigating phonon bottlenecks. Guided by this paradigm, a composite film endowed with a concave-spherical light-trapping array was fabricated, leading to substantial improvements in photothermal conversion efficiency and operational stability. This quantum-to-device co-design paradigm transcends MXenes, providing a data-driven, systematic design pathway that integrates fundamental theory with surface passivation to accelerate the advancement of durable photothermal devices tailored for sustainable energy applications.

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ACS Applied Energy Materials · 2026 · IF 5.5

Interface Engineering of AuCu Bimetallic Nanoparticles/1T-MoS2 Electrocatalyst for Enhanced Hydrogen Evolution Reaction Activity in Natural Seawater and Alkaline Freshwater

Xiaorong Gan,Leilei Ye,Weiwei Wu,Kangheng Huang,Ran An,Ting Cheng,Jianlin Zhang,Yanhui Ao

Developing robust, high-performance electrochemical catalysts for hydrogen production from natural seawater or alkaline freshwater presents a significant challenge. Herein, we report an electrocatalyst system of AuCu bimetallic nanoparticles (NPs) supported on 1T-MoS2 (AuCu/1T-MoS2) synthesized via hydrothermal/solvothermal methods followed by controlled electrochemical deposition. Experimental electrochemical measurements combined with density functional theory (DFT) calculations reveal that the AuCu/1T-MoS2 catalyst exhibits superior hydrogen evolution reaction (HER) activity in alkaline freshwater compared with natural seawater. DFT indicates that adsorption of Na+ or Cl– on the active Au sites makes the Gibbs free energy of hydrogen adsorption (ΔGH) more negative, thereby disfavoring H2 desorption and reducing activity in seawater. Experimentally and theoretically, the introduction of AuCu NPs increases the density of accessible active sites by activating the otherwise inert basal planes of 1T-MoS2. The Cu component facilitates water dissociation and lowers ΔGH, while Au improves the electrical conductivity. The orbital hybridization between the d states of AuCu and those of Mo in 1T-MoS2 results in a higher density of states at the Fermi level, thereby improving conductivity and reducing ΔGH. Charge redistribution at the AuCu/1T-MoS2 interface produces a synergistic enhancement of HER kinetics. Our findings offer design principles for bimetallic/2D hybrid electrocatalysts tailored for seawater and alkaline electrolysis.

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Journal of Environmental Chemical Engineering · 2026 · IF 7.2

Green and Scalable Design of Plant-Based MoS2-OA Pickering Nanofluids for Simultaneous Friction Reduction and Heat Dissipation in Sustainable Metalworking

Wei Wang,Deping Xia,Xin Wang,Hualin Lin,Jingzhou Liu,Shuai Huang,Mingan Zhou,Bin Dai,Sheng Han

Traditional mineral oil-based cutting fluids are increasingly incompatible with sustainable manufacturing due to their environmental and health impacts. To solve these challenges, this work presented a green and scalable strategy for a high-performance nano-cutting fluid by constructing a plant-based Pickering emulsion. This system innovatively utilized cottonseed oil as the base oil, stabilized by oleylamine (OA) modified MoS 2 nanosheets (MoS 2 -OA) at the oil-water interface. The formulation was rationally designed and optimized by response surface methodology (RSM) to synergistically enhance emulsion stability, lubrication, and heat dissipation. The resulting Pickering emulsion is demonstrated to possess a unique combination of significantly reduced friction and wear, along with improved thermal conductivity, outperforming a commercial cutting fluid. Mechanistic analysis revealed that MoS 2 -OA nanosheets formed a multifunctional interfacial film, which synergistically served as a “lubrication film” for low friction and a “thermal bridge” for efficient heat dissipation. Thus, a novel paradigm for developing sustainable metalworking fluids is established by leveraging the synergistic potential of non-edible plant oils and functional nanomaterials.

CAS / MDL: 10102-40-6 62-56-6
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JOURNAL OF POWER SOURCES · 2026 · IF 7.9

Micropore-dominant S, P co-doped carbon derived from biomass waste with rearranged pore structure for enhanced cycling stability supercapacitors

Yan Wang,Hanbo Wang,Dongyu Zhu,Yahui Xu,Ziming Wang,Yiduo Li,Yumei Tian,Haiyan Lu

The practical application of carbon and its analogues has been impeded by their high cost and the complexity of preparation methods, thereby driving significant interest in identifying cost-effective alternatives for future energy storage applications. Biomass-derived carbon has emerged as promising substitutes for graphene in energy storage devices. However, enhancing their specific surface area and electrochemical performance remains a considerable challenge. We developed a novel approach by utilizing thiourea and sodium hypophosphite as activators and co-dopants to synthesize sulfur and phosphorus co-doped porous carbon derived from biomass waste. This strategy effectively facilitated pore structure rearrangement and introduced a synergistic combination of non-metallic dopants, significantly improving the electrochemical performance for supercapacitors by adjusting the ratio of co-dopants. The resulting sample exhibited a hierarchical porous structure with superior specific surface area (2691.85 m 2  g −1 ) and abundant micropores, endowing a high capacitance (323.5 F g −1 at 1 A g −1 ) and a superb cycling stability (100.37 % after 10,000 cycles). Furthermore, the assembled button-type supercapacitors yielded a remarkable energy density of 31.8 Wh kg −1 coupled with outstanding cyclic stability, retaining approximately 92.17 % after 25,000 cycles. These promising results exemplified a sustainable and cost-effective approach to design electrode materials for high-performance supercapacitors with extended cycle life.

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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 13.2

Ultrafast synthesis of Cu/Cu2O/Cu2S@coal-based carbon heterostructure with multiple redox pairs for enhancing specific capacitance in asymmetric supercapacitors

Hongxia Gao,Xueyan Wu,Yan Lv,Rui Xue,Fanze Meng,Peiqi Jing,Jixi Guo,Xiaogang Zhang

Cu-based compounds are indispensable materials for pseudocapacitors owing to their excellent electrical conductivity and diverse valence states. Their practical performance remains constrained by nanoparticle agglomeration and limited active sites. Herein, a low-temperature pre-oxidation strategy was employed to introduce coal-based carbon surface with abundant C O and = C–H groups, providing uniform anchoring sites for Cu-based compounds. Through flash Joule heating process, these precursors were transformed into a Cu/Cu 2 O/Cu 2 S heterostructure intimately (4.6 s) integrated with the carbon substrate. The lattice defects at the heterostructure promote the adsorption and diffusion of ions, while the coexistence of Cu 0 /Cu + redox pairs enhances reversibility of Faradaic reactions. As a result, the optimized Cu@OMC electrode have good specific capacitance (2041 Fg −1 at 1 A g −1 ) in 6 M KOH. It is assembled into an asymmetric supercapacitor, which has a high energy density of 60.01 Wh kg −1 , a power density of 800.00 W kg −1 , and a specific capacity retention rate of 97.29 % after 10,000 cycles. This study provides a simple and efficient strategy for the preparation of carbon-supported metal compound electrode materials.

CAS / MDL: 62-56-6 7447-39-4
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Energy Storage Materials · 2026 · IF 20.2

Engineering Ultra-Stable Composite Cathodes via Multifunctional Conductive Additive Architectures to Stabilize Li6PS5Cl-Based All-Solid-State Lithium Batteries

Xin Gao,Ya Chen,Bin Fang,Xiaodong Chen,Runjing Xu,Tao Meng,Ling Huang,Peiyi Ji,Long Bao,Hongchao Sun,Lifeng Cui,Gang Tan,Guoxiu Wang

The electrochemical performance of all-solid-state lithium batteries (ASSLBs) can be markedly enhanced by resolving issues arising from cathode conductive additives (CCAs), including excessively high interfacial impedance, inadequate compatibility with solid electrolytes, and insufficient adaptability to the composite cathode. Here, the embedding of ultra-thin and ultra-stable MoS 0.25 Se 1.75 nanosheets onto a vapor-grown carbon fibers (VGCF) substrate are successfully fabricated (MoS 0.25 Se 1.75 @VGCF) as CCAs within a LiCoO 2 -based composite cathode for Li 6 PS 5 Cl (LPSC)-based ASSLBs. This advanced nanostructure design not only effectively suppresses the presence of hydroxyl groups (-OH) on the surface but also induces a synergistic effect that builds up a strong internal electric field and simultaneously lowers the Li + ions migration energy barrier, which can mitigate the occurrence of LPSC degradation at the CCAs|LPSC interface while establishing dual electron/Li + ion transport pathway, thus strengthening the compatibility of composites cathode interfaces for the improvement of electrochemical performance. Consequently, the assembled LCO|MoS 0.25 Se 1.75 @VGCF|LPSC-based ASSLBs exhibit exceptional performance, demonstrating a high discharge capacity of 131.24 mAh·g -1 at 0.1C, a high coulombic efficiency of 92.34%, and an excellent capacity retention of 90.41% after 1000 cycles at 0.5C. This finding introduces a novel synergistic strategy, which offers a fresh approach to mitigate interfacial instability in composite cathodes, thereby further facilitating the commercialization of ASSLBs.

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2026 · IF 8.3

Metallic CoS2 nanosheets promote photocatalytic hydrogen production of CdS nanoparticles

Kejie Zhang,Hongyu Yuan,Yunhao Wang,Chen Mao,Zhen Mou,Peng Chen,Wei Meng,Zhiping Zhou

In this paper, CdS nanopaticles were first prepared by a simple hydrothermal method, and then CoS 2 nanosheet was grown in situ on CdS, thereby successfully constructing CdS/CoS 2 binary heterojunction photocatalyst. The prepared CdS/CoS 2 -15 % nano-heterojunction exhibited the highest hydrogen yield in photocatalytic water decomposition (45.89 mmol h −1  g −1 ), which was 112 times higher than that of single CdS. The high photocatalytic activity and relatively high stability of the CdS/CoS 2 -15 % nano heterojunction could be mainly attributed to the loading of the co-catalyst CoS 2 . Density functional theory (DFT) calculations show that CoS 2 has properties similar to metals, and the Fermi level of CoS 2 are lower than that of CdS. The sheet-like CoS 2 and its higher binding energy provide favorable conditions for the adsorption of hydrogen ions, and its metallic like properties and lower Fermi level help CoS 2 effectively obtain photo generated electrons from CdS, which effectively promotes the production of hydrogen gas. This study provides a useful idea for the development of cost-effective co-catalysts to assist other semiconductor materials in improving the hydrogen production efficiency of visible-light-driven photolysis of water.

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MATERIALS CHEMISTRY AND PHYSICS · 2026 · IF 5.2

Tuning property through controlled crystallinity of Cu2ZnSnS4 as photovoltaic film by sodium doping

Xuanrui Zhang,Peixuan Jin,Shunxing Liang,Weitong Cai

Cu 2 ZnSnS 4 (CZTS) is a promising candidate material for photovoltaic applications, sodium doping is crucial for improving the crystalline quality and performance of CZTS thin films. This study systematically investigated the effects of sodium dopant type, such as NaCl, NaHCO 3 , and NaOH, doping concentration at specific levels of 0, 3, 6, 9, and 12 at.%, and doping method, including precursor solution doping and post-deposition doping, on the microstructure and optical properties of CZTS thin films. Research findings indicate that NaHCO 3 serves as the optimal sodium source, effectively promoting grain growth while suppressing secondary phase formation. The film with 6 at.% doping concentration achieves optimal properties, including a maximum grain size of 57 nm and a near-ideal stoichiometry with Cu/Zn and S/Zn ratios of 2.38 and 4.90, alongside significantly enhanced surface compactness. The sodium doping in the precursor solution enhances crystallinity but tends to introduce secondary phases, whereas post-doping of the precursor film better preserves phase purity and elemental stability, albeit with a slight decrease in crystallinity.

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VIBRATIONAL SPECTROSCOPY · 2026 · IF 3.1

Tungsten-doped molybdenum disulfide as a high-performance substrate for surface-enhanced Raman scattering

Xuejiao Wang,Xueyan Liu,Wei Zhang,Bing Hua,Haoyu Zhang,Erjin Zhang

Research on non-noble metal SERS platforms has drawn widespread focus in the past decade. Molybdenum disulfide (MoS 2 ) has emerged as a highly potential candidate for non-noble metal SERS platforms, owing to its tunable bandgap and abundant active sites. Nevertheless, pristine MoS 2 exhibits weak SERS activity, limiting its practical applications. In this study, tungsten atoms were doped into MoS 2 by a one-step hydrothermal approach to significantly boost MoS 2 ’s capability for SERS applications. The following factors account for the enhanced SERS activity of tungsten-doped MoS 2 (W-MoS 2 ): W doping can enhance the adsorption between MoS 2 and analyte molecules, and facilitate charge transfer between them. Additionally, W doping is capable of regulating the band structure of MoS 2 , thereby enhancing the charge transfer efficiency. Experimental results show that the W-MoS 2 SERS substrate has better detection performance compared with the pure MoS 2 SERS substrate. For methylene blue (MB), the SERS enhancement factor (EF) of the W-MoS 2 substrate was calculated as 1.095 × 10 6 , and its detection limit was achieved at 10 −7 M. Additionally, the W-MoS 2 platform demonstrates high homogeneity and stability. This work offers a novel perspective on the rational synthesis of transition-metal dichalcogenide materials exhibiting high SERS performance.

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