JOURNAL OF CHEMICAL PHYSICS
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2024
·Vol. 160
·期 16
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IF 3.1
Du Luchao,An Jie,Katayama Tetsuro,Duan Menghan,Shi XiaoPing,Wang Yunpeng,Furube Akihiro
In recent years, all-inorganic perovskite materials have become an ideal choice for new thin film solar cells due to their excellent photophysical properties and have become a research hotspot. Studying the ultrafast dynamics of photo-generated carriers is of great significance for further improving the performance of such devices. In this work, we focus on the transient dynamic process of CsPbBr 3 /TiO 2 composite systems with different Mn 2+ doping contents using femtosecond transient absorption spectroscopy technology. We used singular value decomposition and global fitting to analyze the transient absorption spectra and obtained three components, which are classified as hot carrier cooling, charge transfer, and charge recombination processes, respectively. We found that the doping concentration of Mn 2+ has an impact on all three processes. We think that the following two factors are responsible: one is the density of defect states and the other is the bandgap width of perovskite. As the concentration of doped Mn 2+ increases, the charge transfer time constant shows a trend of initially increasing, followed by a subsequent decrease, reaching a turning point. This indicates that an appropriate amount of Mn 2+ doping can effectively improve the photoelectric performance of solar cell systems. We proposed a possible charge transfer mechanism model and further elucidated the microscopic mechanism of the effect of Mn 2+ doping on the interface charge transfer process of the CsPbBr 3 /TiO 2 solar cell system.
研究领域:
材料科学
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物理化学
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Advanced Healthcare Materials
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2026
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IF 11
Jiajia Jia,Zhitong Guan,Jiaxin Wang,Ting Fang,Jiajun Sun,Aiyang Tong,Yingzhen Fan,Ming Zhao,Dongkai Wang,Zheran Wang,Ji Li
Although cGAS-STING immunotherapy holds immense potential, its efficacy is severely compromised by pathway evasion. To overcome this, we engineered a core-shell bilayer nanobomb (M/ZIF/MnO 2 @DBCO) via a template-assisted approach, integrating MSC1094308 into ZIF-8 cores followed by MnO 2 shell deposition and DBCO functionalization. In a simulated tumor microenvironment, ZIF-8 loading accelerated Mn 2+ release from MnO 2 , increasing the cumulative release by nearly 30% within 8 h compared to pristine MnO 2 . Cellular assays demonstrated rapid bio-orthogonal targeting of azide-modified tumors, achieving lysosomal escape within 6 h postuptake. Subsequently, MnO 2 -mediated glutathione (GSH) depletion and hydroxyl radical (·OH) generation, combined with Zn 2+ induced mitochondrial oxidative stress, produced cytotoxic reactive oxygen species (ROS) that triggered immunogenic cell death. Furthermore, Mn 2+ , Zn 2+ , and dsDNA released from damaged mitochondria cooperatively activated the cGAS-STING pathway. Concurrently, MSC1094308 inhibited ESCRT-mediated negative regulation, as evidenced by a ∼0.2 decrease in the p-STING/VPS4B-RFP colocalization coefficient, confirming the blockade of cGAS-STING evasion. In vivo studies revealed that the nanoplatform profoundly stimulated antitumor immunity, increasing tumor-infiltrating cytotoxic T lymphocytes approximately 8-fold versus untreated controls after 21 days. This work establishes an integrated strategy harnessing Zn 2+ /Mn 2+ synergy, nanobomb reactivity, and ESCRT inhibition to circumvent cGAS-STING evasion, offering a promising paradigm for cancer immunotherapy.
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INORGANIC CHEMISTRY
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2026
·
IF 4.6
Junrong Lai,Yanfang Li,Chenxu Yin,Kaiyang Mao,Anchi Mao,Haiqin Wan,Lin Dong
Generally, binary metal oxides often exhibit superior catalytic performance to their single-metal counterparts, with crystal-phase structure being a critical factor alongside the metallic composition. However, systematic studies elucidating the role of crystal phase remain scarce. Herein, we synthesize a series of Mn–Ce oxide catalysts (MnCeOx) with distinct crystal phases─bixbyite (Mn2O3-type) and fluorite (CeO2-type)─by a sol-gel method and evaluate their performance in the catalytic oxidation of benzene, toluene, and their mixture. MnCeOx outperformed individual Mn2O3 and CeO2 in both single- and mixed-pollutant scenarios. Noticeably, the fluorite-phase catalysts displayed markedly higher activity than their bixbyite-phase analogues. In single-pollutant oxidation, benzene is oxidized at a lower temperature (T90) than that of toluene. Conversely, in co-oxidation mixtures, toluene exhibits a lower T90 than benzene, indicating a reversal of reactivity under competitive conditions. Comprehensive characterization and theoretical calculations reveal that the high activity of the fluorite phase originates from its lower-valent Mn centers and oxygen vacancies. In mixed benzene/toluene streams, toluene significantly inhibited benzene oxidation because of competitive adsorption. This work highlights the decisive role of crystal-phase engineering in designing efficient multicomponent oxide catalysts for VOC removal.
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ACS Omega
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2026
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IF 5.2
Qing Lin,Haoran Jiang,Yong Hu,Ziwen Dong,Song Kong,Yangli Cui
Addressing the practical predicament of uneven global distribution of phosphate resources, this study focuses on transition-metal-based short-chain perfluorocarboxylates (Mn-TFA and Ni-TFA) and systematically investigates their flame-retardant properties, aiming to develop efficient novel phosphorus-free flame retardants. The results of micromorphological characterization indicate that Mn-TFA forms a porous network structure, and Ni-TFA exhibits a polyhedral morphology, both of which possess distinct crystallinity attributed to the coordination interaction between metal ions and carboxylate groups. Flame-retardant performance evaluation demonstrates that samples display excellent flame-retardant effects: their flame-retardant performance is significantly superior to that of ammonium dihydrogen phosphate (the core active component of commercial flame retardants) at all tested concentrations. Particularly under medium-concentration loading conditions, the flame-retardant paper can achieve a self-extinguishing effect. The results of TG-IR-MS combined analysis show that the generation rates of CO and CO2 in the fuel system are significantly accelerated under the action of the flame retardants, indicating that the flame-retardant process is dominated by the condensed-phase effect.
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ACS Applied Materials & Interfaces
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2026
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IF 7.8
Renjie Liu,Yongjun Zhang,Zhenli Zhang,Hongjing Han,Haiying Wang,Yuting Guan,Yanan Zhang,Bolong Jiang,Xuzhong Gong,Enhao Sun,Yanguang Chen
Coke deposition is a key obstructive problem to be solved in the production of ethylene via steam cracking; moreover, the removal of graphitic carbon in coke is particularly difficult. A strategy integrating Fe–Mn bimetallic synergy at the B-site with oxygen vacancy engineering in perovskites was proposed to accelerate the catalytic conversion of coke/graphitic carbon via steam. DFT simulations and experimental results revealed that Mn incorporation induces dynamic lattice reconstruction of SrFeO3, generating abundant oxygen vacancies that enhance oxygen ion mobility and H2O adsorption. The interaction between Fe and Mn atoms has been observed to narrow the band gap, strengthen the hybridization of the O-2p and Fe-3d orbitals, induce electron delocalization, regulate the transfer of electrons from surrounding atoms to the adsorbed oxygen species, and thus accelerate the desorption and activation of *OH and the transfer of *O2–, which provides the possible reaction pathway for the transformation of graphitic carbon into CO or CO2. At 900 °C, the conversion of graphitic carbon and coke with steam catalyzed by SrFe0.1Mn0.9O3 reached 60.61% and 99.87%, respectively. This study provides an active material that facilitates the in situ online decoking strategy for catalytic coatings on steam cracking furnace tubes along with theoretical insights into the underlying reaction mechanism.
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Inorganics
·
2026
·Vol. 14
·期 3
·88
·
IF 3.4
Naifeng Chen,Yi Li,Chenxia Gao,Chao Xue,Shuang Liu,Jinghang Li,Xi Cao,Kuilin Lv,Yuguang Lv
This study systematically investigated the characterization of 2Fe-CDs/12Mn-CeO2composites and the colorimetric sensing properties of H2O2, glucose (Glu), and glutathione (GSH). The morphology, structure, and optical properties of the 2Fe-CDs/12Mn-CeO2composite were analyzed in detail by XRD, FT-IR, SEM, TEM, XPS, and Raman spectroscopy, and its formation was supported by multiple complementary characterization techniques. The catalytic efficiency (kcat/Km) of the nanozyme is 152-fold higher than natural HRP under optimal conditions and remains 59-fold higher even after temperature normalization to 25 °C. In the colorimetric sensing experiments, the detection limits of Fe-CDs/Mn-CeO2were 0.21 μM, 2.7 μM, and 0.63 μM for H2O2, Glu, and GSH, respectively. Rapid and accurate determination of the concentrations of these biomolecules can be achieved by observing the color changes after Fe-CDs/Mn-CeO2reaction with the objects to be measured. The experimental results show that Fe-CDs/Mn-CeO2have high sensitivity and selectivity for H2O2, Glu, and GSH, which provides a solid theoretical and experimental basis for the application of Fe-CDs/Mn-CeO2in the field of biosensing and medical diagnosis.
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JOURNAL OF ALLOYS AND COMPOUNDS
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2026
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IF 6.7
Khizar Qureshi,Rizwan Haider,Chenrui Zhang,Muhammad Imran Abdullah,Ayaz Muzammil,Zhanyu Ding,Liang Wu,Xianxia Yuan
Spent NMC532 cathode is upcycled into an electrocatalyst for water splitting. • CEC leaching enables over 94% recovery of Li, Ni, Mn, and Co from NMC532. • RNMC-S@NF reaches 4 A cm −2 with overpotential of 539 mV for OER and 414 mV for HER. • OER catalysed by RNMC-S@NF follows a LOM mechanism. • Conventional and MOR-assisted OWS reach 4 A cm −2 at 1.98 and 1.60 V, respectively. The disposal of spent lithium-ion batteries (LIBs) is emerging as a serious environmental issue due to the rapid expansion of electric vehicle market. Current recycling routes typically involve recovery of metals as separate metal salts but rarely convert them directly into functional materials, leaving a largely unmet opportunity for value-added utilization of recovered battery metals. In this work, a sustainable strategy is presented for converting spent LIB cathodes into a high-performance, bifunctional electrocatalyst. Briefly, contact electrocatalysis induced metal leachate solution from LiNi 0.5 Mn 0.3 Co 0.2 O 2 was directly used as a metal source along with thiourea to obtain a hierarchical 3D micro-flower sulfide supported on nickel foam (RNMC-S@NF) via hydrothermal process. The optimized RNMC-S@NF catalyst exhibits exciting electrocatalytic activity, requiring overpotentials of 240/539 mV for oxygen evolution reaction (OER) and 107/414 mV for hydrogen evolution reaction (HER) to reach 0.1/4 A cm −2 , respectively. In addition, a symmetrical 2-electrode (RNMC-S@NF||RNMC-S@NF) device requires a low cell voltage of 1.98 V to deliver industrial-scale current density of 4 A cm −2 , significantly outperforming commercial benchmarks of RuO 2 @NF||Pt/C@NF. RNMC-S@NF also shows high activity toward methanol oxidation reaction (MOR), and an MOR-assisted water splitting electrolyzer achieves 4 A cm −2 at a cell voltage of 1.60 V, demonstrating energy-saving hydrogen generation together with high-value formate production. This work not only establishes a scalable route from spent LIBs to industrial-scale green hydrogen, but also offers mechanistic insight into lattice-oxygen-driven OER catalysis and practical guidance for circular-economy battery-recycling policy. Download: Download high-res image (170KB) Download: Download full-size image Metals recovered from NMC532 cathode in spent lithium-ion battery via CEC-assisted leaching are converted into RNMC-S@NF electrocatalyst, driving industrial-scale current densities for efficient hydrogen generation in both conventional and MOR-assisted water splitting.
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CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Yifeng Xia,Hua Hao,Zhonghua Yao,Chongyan Hao,Minghe Cao,Hanxing Liu
The polarization–breakdown trade-off is broken in SBLTMO thin films. • P r is suppressed while P max and breakdown strength are enhanced. • Leakage mechanisms and defect activation energy are tailored via defect-chemistry regulation. • A high W rec of 131.1 J/cm 3 with 74% efficiency is achieved. Achieving high energy storage performance in dielectric thin films requires both a high breakdown strength and large polarization difference between maximum and remanent polarization. Although Aurivillius-phase ferroelectrics offer excellent fatigue resistance and high breakdown tolerance, their pronounced ferroelectric hysteresis narrows this polarization difference, especially under high electric fields where intensified leakage conduction further broadens the polarization hysteresis. Herein, to overcome this limitation, Mn-doped SrBi 4.76 La 0.24 Ti 4.5 Mg 0.5 O 18 Aurivillius thin films are designed to realize synergistic breakdown enhancement and polarization regulation. Mn incorporation induces local tensile lattice strain, leading to increased maximum polarization. Meanwhile, leakage current is effectively reduced after Mn doping, and remanent polarization decreases because of the weakened contributions from leakage current and irreversible domain switching, thereby achieving effective polarization regulation. Analysis of leakage-conduction mechanisms reveals that Mn incorporation extends the electric-field range dominated by Ohmic and trap-filled-limited conduction before the onset of rapidly increasing leakage under high electric field, thereby enhancing breakdown strength. Consequently, the optimized Mn-doped SBLTMO thin film achieves a recoverable energy density of 131.1 J/cm 3 and an efficiency of 74.0% under 4.5 MV/cm, together with excellent frequency, thermal, and cycling stability. These findings demonstrate the effectiveness of rational defect design in coupling breakdown enhancement with polarization regulation for high-performance Aurivillius dielectric thin films.
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Small
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2026
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IF 11.8
Jingya Wang,Li Li,Baoju Zhou,Xin Yao,Wenle Ma,Ronghai Yu,Hui Zhang
Medium-entropy alloys (MEAs) are promising electromagnetic wave absorption (EMA) materials for their designable crystal structures, tunable electromagnetic properties, and stable phase structures and so on. However, their inherent high density and excessive dielectric constant cause severe impedance mismatch, which greatly limits practical applications. Herein, we propose a lattice distortion engineering strategy via Mn doping, combined with a template-free self-propagating combustion method, to construct lightweight Ni 5 Co 3 Fe 2 MEA aerogels with synergistically optimized impedance matching and electromagnetic energy dissipation. TEM and GPA confirm that Mn doping induces significant lattice distortion in the optimal (Ni 5 Co 3 Fe 2 ) 0.8 Mn 0.2 aerogel. The Mn-induced lattice distortion precisely dual-regulates electromagnetic properties, tailoring electrical conductivity to optimize impedance matching and introducing abundant defective dipoles to boost polarization loss. Its three-dimensional interconnected porous structure delivers an ultralow density of 0.0376 g cm −3 , supporting preliminary lightweight impedance matching optimization. This synergistic design endows the aerogel with an exceptional RL min of −82.9 dB at 1.43 mm and 4.42 GHz EAB, outperforming state-of-the-art MEA absorbers and providing a new lattice distortion engineering paradigm for lightweight high-efficiency EMA materials.
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Journal of Energy Storage
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2026
·
IF 10.7
Huihui Gan,Jia Dong,Siqi Ying,Dexian Zhou,Jiao Zhang,Daiwei Li,Jing Wang,Binghua Zhou,Shizheng Zheng,Changyuan Hu
Li-rich Mn-based oxide (LRMO) represents a promising cathode for next-generation lithium-ion batteries due to its superior energy density. However, its widespread commercialization is hampered by severe capacity fade, voltage decay, and inferior rate performance. Herein, modification of LRMO with Li 3 PO 4 (LPO) is achieved by a novel one-step strategy that seamlessly integrates freeze-drying with subsequent calcination in air. Crucially, this LPO significantly enhances lithium-ion diffusion kinetics without altering the bulk crystal structure. The optimized cathode with a 3 wt% LPO delivers superior cycling stability, with a remarkable capacity retention of 67.8% after 600 cycles at 1C and 25 °C, significantly outperforming the blank cathode (54.9%). It also exhibits outstanding rate capability (102.9 mAh g −1 at 10C) and long-term cyclability (58.0% capacity retention after 1000 cycles at 3C). Furthermore, the practical applicability is further demonstrated under a 1.5C/0.5C protocol and in a full cell with a Si@C anode. This work provides a scalable synthesis route, advancing the development of practical high-energy LRMO cathodes.
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CERAMICS INTERNATIONAL
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2026
·
IF 6
Yutong Zhang,Shuangdou Wu,Lingling Song,Junqin Mao
Developing bioactive piezoelectric ceramics that simultaneously provide electromechanical stimulation and osteogenic regulation remains a major challenge in bone repair. Here, Mn-doped bioactive glass/SrTiO 3 (BG-STO) composite ceramics were fabricated via solid-state sintering to establish a defect-engineered piezoelectric platform with enhanced bioactivity. Structural analyses confirmed SrTiO 3 as the primary phase, while BG incorporation induced grain refinement, lattice distortion, and secondary phase formation. XPS results revealed increased oxygen vacancies and Ti 3+ content, indicating defect-dipole-mediated polarization. The piezoelectric coefficient reached a maximum of ∼1.4 pC/N at 20 wt% BG, accompanied by stable electrical output, reflecting a balance between polarization enhancement and conductivity screening. Biological assays demonstrated excellent cytocompatibility, hemocompatibility, and sustained promotion of stem cell proliferation driven by bioactive ion release. These findings highlight BG-STO ceramics as promising candidates for synergistic electromechanical-biochemical modulation in bone regeneration.
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CARBON
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2026
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IF 12.7
Jiabei Yu,Depeng Zhang,Xinyu Lu,Siqi Wang,Liying Wang,Yuqing Zhang,Sen Zhang,Chao Deng
Dual single-atom catalysts (DACs) provide an efficient clue to conquer the sluggish kinetics of oxygen reactions in Zn-air batteries (ZABs). However, the precise modulation on local microenvironment of DACs sites are still challenging. Herein, we report a defect-driven strategy to manipulate the microenvironment of Fe/Mn dual atomic sites that anchor on a carbon nanofiber (def-FeMn/CNF). Theoretical calculation results reveal that the defects modulate the local microenvironment of dual atom sites, which decreases the energy barrier and enhances the catalytic behaviors. Finite element analysis (FEA) modeling results demonstrate the porous carbon nanofiber is beneficial to mass transports and ensures fast kinetics. Benefitting from both aspects of advantages, the def-FeMn/CNF catalyst displays the superior pH-universal electrocatalytic properties, fast kinetics, and high stability. It exhibits the half-wave potentials of 0.92 V and 0.87 V in alkaline and acidic conditions, which outperform the FeMn-DAC/CNF, N–FeMn/CNF, Fe-SAC/CNF, and Mn-SAC/CNF reference samples. Moreover, the full Zn-air battery (ZABs) with def-FeMn/CNF cathode shows the high power densities of 295 W kg −1 and high stability over long-term (1000 h) cycling. Furthermore, the quasi-solid-state Zn-air batteries achieve a smooth operation over a wide-temperature range and a long-term (800 h) operational stability at curved state. Therefore, the defect-driven approach provides an efficient strategy to manipulate the local microenvironment of DACs for boosted catalytic properties. Moreover, it also gives a new clue to design and fabrication of pH-universal electrocatalysts towards diverse working conditions. Download: Download high-res image (485KB) Download: Download full-size image
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