ACS Nano
·
2026
·
IF 17.3
Shanli Wang,Zejin Ju,Yingwu Wang,Zijie Liu,Xingzhe Wang,Hua Jiao,Minhua Cao,Yude Wang,Wenyan Yin,Yuliang Zhao
Nanozymes suffer from insufficient catalytic activity and sluggish electron transfer, while hypoxic tumor microenvironment (TME)-induced radioresistance and limited reactive oxygen species accumulation hinder radiotherapy efficacy. Existing nanozyme radiosensitizers often require high-dose radiotherapy or combined drugs to achieve only a modest efficacy. Herein, we report a Pt-anchored MoOx (MPP) nanozyme synthesized via a surface defect-ligand reduction strategy with Pt nanoclusters loading up to 34.39 ± 0.92 wt %. It features a gradient electron-transfer interface constructed by strong Pt–O–Mo interactions, which enables atomic-level integration of Pt0/Pt2+ nanoclusters with MoOx and the simultaneous introduction of oxygen vacancies and an interfacial electron pool. Density functional theory calculations confirm the interface upshifts MoOx’s d-band center, accelerates Mo → Pt electron transfer, and reduces the H2O2 dissociation barrier to 0.18 eV. Consequently, MPP achieves a catalase-like specific activity of 3884.53 U mg–1 (2-fold natural catalase, 7528-fold MnO2) and a turnover number (TON) of 25.7021 s–1. Additionally, MPP exhibits a quantitative factor for electron transfer efficiency of 1.75, exceeding reported nanozymes. In the acidic TME, MPP orchestrates a catalase/superoxide dismutase/oxidase cascade to relieve hypoxia and generate •O2–/1O2. Synergized with Pt’s high-Z effect, MPP amplifies the efficacy of 6 Gy with low-dose radiotherapy, achieving 75.24% tumor inhibition rate without inducing systemic toxicity. This gradient electron-transfer interface strategy provides a promising paradigm for high-efficacy, low-toxicity tumor-specific therapy.
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PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Qi Xue,Pengjing Yin,Runmiao Chen,Juan Bai,Haoqi Yang,Yuanzhen Zhou
A self-supported Mo-doped Co 3 S 4 /Ni 3 S 2 heterostructure was constructed. • HER and OER overpotentials reach 45.6 and 51.5 mV at 10 mA cm −2 . • Operando Raman reveals earlier formation of a NiOOH-dominated active phase. • Mo suppresses excess OH ⁎ coverage and accelerates oxygen-intermediate turnover. • A symmetric electrolyzer delivers 10 mA cm −2 at a cell voltage of 1.43 V. Dynamic reconstruction of transition-metal sulfides into active oxyhydroxides is critical to the oxygen evolution reaction (OER), yet promoting this transformation at a low anodic potential while avoiding excessive accumulation of oxygenated intermediates remains challenging. Herein, density functional theory (DFT) calculations were used to reveal the electronic effect of Mo incorporation on the Co 3 S 4 /Ni 3 S 2 heterointerface, showing a downward shift of the Ni d -band center and reduced electron localization around adjacent Ni and Co sites. Based on this insight, a self-supported Mo-doped Co 3 S 4 /Ni 3 S 2 heterostructure was synthesized on nickel foam (Mo-Co 3 S 4 /Ni 3 S 2 ). The optimized Mo 0.03 -Co 3 S 4 /Ni 3 S 2 requires overpotentials of only 51.5 mV and 45.6 mV to deliver 10 mA cm −2 for OER and HER. A two-electrode electrolyzer using Mo-Co 3 S 4 /Ni 3 S 2 as both electrodes reaches 10 mA cm −2 at only 1.43 V. Methanol-probe measurements indicate reduced OH ⁎ accumulation after Mo incorporation, while in-situ Raman spectroscopy identifies the reconstructed NiOOH layer as the OER-active phase and reveals its formation at a lower anodic potential. Further calculations show that Mo brings hydrogen adsorption closer to thermoneutral and lowers the thermodynamic limitation of OER by regulating oxygenated-intermediate adsorption. This work provides a general strategy for regulating dynamic catalyst reconstruction and interfacial reaction processes, which may advance the development of efficient electrocatalysts for sustainable hydrogen production. Download: Download high-res image (132KB) Download: Download full-size image
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DOI
高影响因子
Energy Materials
·
2026
·Vol. 6
·期 8
·N
·
IF 11.9
Jianfang Zhang\u003Csup\u003E1,2,\u003C\u002Fsup\u003E,Jiapei Li\u003Csup\u003E2,\u003C\u002Fsup\u003E,Yan Wang\u003Csup\u003E1,\u003C\u002Fsup\u003E,Miao Han\u003Csup\u003E1\u003C\u002Fsup\u003E,Chuhao Luan\u003Csup\u003E2\u003C\u002Fsup\u003E,Shuai Xia\u003Csup\u003E1\u003C\u002Fsup\u003E,Cuiping Yu\u003Csup\u003E1\u003C\u002Fsup\u003E,Yucheng Wu\u003Csup\u003E1,3,\u003C\u002Fsup\u003E,Wenjun Zhang\u003Csup\u003E2,\u003C\u002Fsup\u003E
The development of efficient and durable electrocatalysts for industrial-level water splitting remains a critical challenge. Here we report a CuO-MoS2/MoO3 precatalyst that undergoes electrochemical reconstruction under working conditions to yield two distinct active phases: Cu-MoS2 for the hydrogen evolution reaction (HER) at the cathode and an optimized CuO-MoS2/MoO3 for the oxygen evolution reaction (OER) at the anode. In 1.0 M KOH, the reconstructed electrodes deliver remarkably low overpotentials of 35 mV for HER and 124 mV for OER at 10 mA cm-2, along with outstanding long-term durability, sustaining 500 mA cm-2 for 100 h. Combined in situ Fourier-transform infrared spectroscopy and density functional theory calculations reveal that Cu species not only enhance charge transport but also tailor the electronic structure to optimize intermediate adsorption and reorganize interfacial water into a strongly hydrogen-bonded network, thereby accelerating water dissociation and proton transfer kinetics. When assembled into an anion-exchange-membrane water electrolyzer, the system delivers 1.0 A cm-2 at a low voltage of 1.77 V and 80 °C, with stable operation for 500 h, substantially surpassing noble-metal benchmarks. Our findings offer an efficient and durable catalyst system for sustainable hydrogen production, as well as fundamental insights into catalyst reconstruction and interfacial water regulation that inform the rational design of electrocatalytic materials.
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高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
·
2026
·
IF 19.7
Guoshuang Liu,Shuting Luan,Yongqi Feng,Yuanying Zhang,Shi-Wen Lv,Yanqing Cong
W/Mo-modified Ni 3 S 2 features local crystalline/disordered interfacial domains. • The electrode requires 101 mV at 10 mA cm −2 with a 69.9 mV dec −1 Tafel slope. • Stable HER operation is maintained for 100 h at 100 mA cm −2 . • DFT suggests modulated H* adsorption energetics and a lower water dissociation barrier. The rational engineering of crystalline/disordered interfacial domains with tailored electronic properties represents a promising strategy for developing high-performance electrocatalysts for the hydrogen evolution reaction (HER). Herein, a three-dimensional self-supported W/Mo-modified Ni 3 S 2 -based electrocatalyst with local crystalline/disordered interfacial domains (Ni 3 S 2 @W:Mo-0.2:0.2) is fabricated through a facile hydrothermal strategy. Structural characterizations support the coexistence of crystalline Ni 3 S 2 domains and adjacent Ni-containing W/Mo/O-associated disordered regions, while the combined experimental and theoretical results suggest interfacial electronic regulation and enhanced alkaline HER kinetics. The local interfacial structure is associated with interfacial charge-transfer behavior. Consequently, the electrode requires an average overpotential of 101.00 ± 1.73 mV at 10 mA cm −2 in 1 M KOH, together with improved apparent kinetics, reduced charge-transfer resistance, and stable operation at 100 mA cm −2 for 100 h. The enhanced activity arises from the combined contributions of accessible surface area, ECSA-normalized apparent specific activity, and charge-transfer kinetics. Density functional theory (DFT) calculations suggest modulated H* adsorption energetics and a lower water dissociation barrier. Gas chromatography (GC) analysis quantitatively confirms sustained H 2 generation. This work provides insights into interfacial engineering and electronic structure regulation for advanced electrocatalyst design. Download: Download high-res image (215KB) Download: Download full-size image
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高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2026
·
IF 6.7
Pengcheng Wang,Jiaxin Li,Xuanpan Xu,Zhanhong Peng,Yihui Song,Yuan Yao,Ting Zhu,Weibin Zhang,Qianjin Wang,Hong-En Wang,Chen Qing
Developing efficient electrocatalysts for the alkaline hydrogen evolution reaction (HER) remains challenging due to sluggish water dissociation and suboptimal hydrogen adsorption. Herein, we report an in-situ precursor-leaching-induced strategy for fabricating Co x Ni 1-x (OH) 2 solid solution nanorod arrays via complete Mo leaching from hydrothermally grown Co x Ni 1-x MoO 4 ·H 2 O on Ni-Co foam. This transformation preserves the one-dimensional architecture, yielding a Mo-free, binder-free electrode with exceptional HER activity, characterized by overpotentials of 38 mV and 208 mV at 10 and 50 mA cm -2 , respectively, and stability over 300 h at 100 mA cm -2 . Experimental and theoretical analyses reveal that adjacent Ni and Co sites synergistically optimize the adsorption thermodynamics of hydrogen intermediates and promote interfacial charge transfer, while Mo is fully removed as a sacrificial component that triggers the in-situ reconstruction into a Co–Ni hydroxide solid solution. This work provides a practical route to high-performance alkaline HER catalysts enabled by atomic-level Ni–Co electronic synergy.
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高影响因子
Energy & Environmental Materials
·
2026
·
IF 13.8
Eunchae Oh,Jaewon Jang,Yoon Kyeung Lee,Junghoon Yang,Byung-Joo Kim,Jungpil Kim
The direct conversion of CO 2 into high-quality carbon nanotubes (CNTs) remains a formidable challenge, primarily due to the oxidation of metal catalyst by the oxidative nature of CO 2 . To overcome this limitation, a tandem catalytic system was implemented, in which CO 2 was converted to produce CH 4 on Ni catalysts in the primary reactor, and the CNT was synthesized from CH 4 on an Fe catalyst in the secondary reactor. Nevertheless, unreacted CO 2 was introduced into the secondary reactor, where the Fe catalysts were oxidized and thus failed to produce any solid carbon. To prevent the oxidation of Fe catalysts, a bimetallic Fe–Mo catalyst was employed instead of pure Fe. Mo was partially converted to Mo 2 C by reacting with unreacted CO 2 , which effectively suppressed the oxidation of Fe, thereby stabilizing the active Fe phase. This transformation was further corroborated by XPS analysis, where the Mo 3d spectra exhibited an increased Mo 2+ peak intensity, whereas the Fe 2p spectra showed a stronger metallic Fe signal, confirming that Mo incorporation inhibited Fe oxidation. However, excessive Mo loading resulted in the formation of multi-walled CNTs instead of single-walled CNTs, as evidenced by the reduced selectivity toward radial breathing modes in the Raman spectra and the broader diameter distribution observed in TEM measurements. These findings underscore the critical role of Mo in preserving Fe activity under oxidizing conditions and highlight the importance of optimizing its content, as an appropriate Mo level enables the selective synthesis of high-quality single-walled CNTs from CO 2 via a dual-step tandem process.
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高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2026
·
IF 6.7
Dong-Ni Yang,Yin Shi,Cheng-Bao Yao
Herein, we report a facile cetyltrimethylammonium bromide (CTAB)-assisted strategy for continuous synthesis of ternary Mo x W 1-x S 2 composites with tunable Mo/W ratios. CTAB facilitates the exposure of active sites by suppressing clustering at the molecular scale and expanding the (002) interlayer spacing in WS 2 . Meanwhile, Mo-doping not only optimizes the structure but also introduces sulfur vacancies (V S ), which can effectively modulate the band structure and charge distribution. The hydrogen evolution reaction (HER) of Mo x W 1-x S 2 has been flexibly controlled via defect and doping engineering. Mo-doping activates the basal plane of 2H-WS 2 and supplies more active sites, resulting in higher performance for HER. Electrochemical characterization confirms the significant contributions of Mo-doping to the expansion of electrochemical active surface area (C dl = 27 mFcm −2 ) and the reduction in charge transfer resistance (R ct = 11.8 Ω). The HER activity of 2H-WS 2 has been effectively activated at the Mo-doping content of 5%. Density functional theory was employed to investigate the charge distribution and electronic structure induced by V S of Mo x W 1-x S 2 , revealing that the enhanced catalytic activity of 2H-phase MoWS 2 stems from electron donation by V S . This study provides a new strategy for the structural design and efficient synthesis of 2H-phase catalysts.
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高影响因子
Small
·
2026
·
IF 11.8
Hui Wang,Yanan Li,Jingjing Dou,Qing Xu,Zitong Jiang,Tao Zhang,Chaozheng He,Mingshang Jin,Xiang Li
Direct ethanol fuel cells (DEFCs) are promising clean energy devices, but their efficiency is limited by the low C-C bond cleavage efficiency of Pd-based catalysts. Herein, we synthesized In-Mo codoped Pd metallene with rich interface defects via a simple wet-chemical method, which consists of face-centered cubic, intermetallic and amorphous phases. The catalyst's structure and ethanol electrooxidation reaction (EOR) performance was systematically characterized, and the mechanism was revealed by in situ ATR-FTIR, HPLC and DFT calculations. Results showed that the optimal PdInMo metallene exhibited a C1 pathway selectivity of 73.68%, which was 12.02 time that of commercial Pd/C. Its mass activity and specific activity were 4273.8 mA mg Pd −1 and 8.36 mA cm −2 , 2.38 and 1.34 times higher than those of undoped Pd metallene (1795.9 mA mg Pd −1 and 6.25 mA cm −2 ), 6.85 and 3.83 times higher than those of commercial Pd/C (624.2 mA mg Pd −1 and 2.18 mA cm −2 ), respectively, with excellent cycling stability (75.10% activity retention). The enhanced performance was attributed to the synergistic effect of In─Mo codoping and rich interface defects: strengthened OH* adsorption, weakened CO* adsorption, and reduced C─C bond cleavage energy barrier. This study provides a novel strategy for designing high-selectivity and high-activity Pd-based catalysts for EOR.
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高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2026
·
IF 6.7
Ting Li,Jinhua Xu,Guojing Cao,Xiaoxue Jiang,Cuiqin Li
The ultrahigh-nickel quaternary cathode material LiNi 1-x-y-z Co x Mn y Al z O 2 (1-x-y-z ≥ 0.9, NCMA) combines the complementary advantages of its ternary counterparts, LiNi x Co y Mn z O 2 (x≥0.9, NCM) and LiNi x Co y Al z O 2 (x≥0.9, NCA). Benefiting from its high specific capacity and exceptional rate capability, the NCMA cathode has attracted widespread attention as a promising candidate for the high-end energy storage market. However, oversized primary particles typically exacerbate internal stress, leading to secondary particle pulverization and microcrack propagation, which severely degrade cycling stability and trigger capacity fade. To address these limitations, this study introduces Mo 6+ doping into NCMA to guide the radial growth of primary particles, resulting in a distinct elongated, rod-shaped morphology. This structural modification effectively shortens Li + transport pathways and mitigates internal-stress-induced microcracks. Concurrently, the dual roles of Mo are elucidated: its incorporation into the bulk lattice induces lattice expansion that widens Li + diffusion channels, while its segregation at grain boundaries restricts grain growth and fosters the radial morphology. This synergistic effect significantly accelerates Li + transport kinetics during cycling. Consequently, the optimized Mo-doped NCMA delivers a high reversible capacity of 213.5 mAh·g -1 at 0.2 C, 134.9 mAh·g -1 at 10 C, and a 94.9% retention rate after 100 cycles at 1 C. Furthermore, its practical viability was further assessed in a full-cell configuration, which maintained stability over 500 cycles and delivered 72.13% capacity retention. Overall, the Mo 6+ doping strategy successfully enhances the electrochemical performance of NCMA, offering a promising avenue for the modification of ultrahigh-nickel quaternary cathode materials.
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高影响因子
ACS Applied Nano Materials
·
2025
·
IF 5.5
Xu Zhang,Baochang Gao,Yuan Tian,Yu Shi,Guowei Li,Zhiguo Zhang,Chengwei Han,Li Sun,Jingru Zhang,Bo Liu,Hongwei Zhang,Guangyu Bai
Direct electrolysis of seawater offers a promising pathway for sustainable hydrogen production while avoiding the issues caused by freshwater shortages. However, the sluggish four-electron transfer kinetics and the competitive adsorption of Cl– ions of the oxygen evolution reaction (OER) during seawater electrolysis remain as key challenges in designing effective catalysts. Herein, leveraging the electron-absorbing properties of molybdenum cobalt nitride (CoN/Mo2N) to modulate the electronic structure of nickel–iron layered double hydroxide (NiFe-LDH), a nanoscale hierarchical heterostructure of NiFe-LDH coated on CoN/Mo2N (CoN/Mo2N/LDH) was engineered to achieve highly efficient OER. Operando electrochemical impedance spectroscopy reveals that the heterointerface facilitates charge transport kinetics. Additionally, charge density analysis and adsorption energy calculations confirm that the NiFe-LDH preferentially adsorbs OH– over Cl– in alkaline seawater. The CoN/Mo2N/LDH nanostructure requires only 249 mV overpotential to achieve 500 mA·cm–2 in 6 M KOH + seawater, maintaining 94.8% of its initial activity over 10 days of continuous operation. This work elucidates the electron-absorption-driven modulation of electronic structures in nitride-regulated LDH nanomaterials, enabling their application in industrial-scale seawater electrolysis. The tailored nanoscale design achieves simultaneous high-efficiency oxygen evolution and exceptional stability, advancing scalable green hydrogen production from seawater.
研究领域:
材料科学
·
电化学
·
可再生能源
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高影响因子
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
·
2025
·
IF 7
Zhen Li,Xianhui Wang,Yan Liang,Jituo Liu
To achieve the optimal trade-off among strength, toughness and electrical conductivity, the CNTs-Mo/Cu composites with different architectural structures were fabricated by the combination of wet mixing, ball milling, spark plasma sintering (SPS) and hot rolling. The microstructure, mechanical properties and electrical conductivity of the CNTs-Mo/Cu composites were investigated, and the strengthening and toughening mechanisms were also explored based on the experimental results along with finite element simulation and first-principles. It is found that CNTs-Mo exhibits a dispersed distribution in the Cu matrix for the 0.05 wt%CNTs-Mo/Cu composite, whereas a discontinuous network structure occurs in the 0.10 wt%CNTs-Mo/Cu composite. At 0.15 wt%CNTs-Mo, the complete continuous network architecture presents in the 0.15 wt%CNTs-Mo/Cu composite. Moreover, the Mo 2 C modified on the surface of CNTs forms a semi-coherent interface with Cu, which facilitates the enhancement on the interfacial bonding between CNTs and Cu. The 0.15 wt%CNTs-Mo/Cu composite with continuous network structure displays the maximum tensile strength of 455.1 MPa, the largest elongation of 39.1 % and the optimum fracture toughness of 22.4 MPa m 1/2 , while an excellent electrical conductivity of 93.2 %IACS can also be achieved simultaneously. Furthermore, the finite element simulations reveals that the network structure suppresses stress concentration and hinders crack propagation, thereby promoting load transfer. The first-principles calculation demonstrates that Cu-Mo 2 C and Mo 2 C-CNT heterostructures display the higher absolute value of binding energy and more obvious charge transfer than the CNT-Cu heterostructure, suggesting that the incorporation of Mo 2 C plays a crucial role in improving the interfacial stability and interfacial bonding strength of CNTs-Cu. The simultaneous improvement on strength and toughness of the 0.15 wt%CNTs-Mo/Cu composite can be attributed to strong interfacial bonding, effective load transfer, as well as crack deflection and bridging effects stemmed from the CNTs.
研究领域:
材料科学
·
纳米复合材料
·
机械工程
·
导电性
·
计算材料科学
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高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2025
·
IF 3.9
Zhiyang Yu,Yuqi Shao,Wenyao Li,Yongzhuo Liu
Integrated CO2 capture and conversion (ICCC), which simultaneously achieves CO2 enrichment and in situ conversion, represents a promising strategy for reducing CO2 emissions. Dual-function materials (DFMs) that exhibit stable and highly efficient adsorption and catalytic conversion properties are essential to the success of this strategy. In this study, we developed novel Mo/Fe-doped CaO-based DFMs for the integrated CO2 capture and reverse water–gas shift (ICCC–RWGS) process. The synthesized DFMs was evaluated through adsorption–conversion cyclic experiments in a fixed-bed reactor, complemented by X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET), scanning electron microscopy (SEM) mapping, and X-ray photoelectron spectroscopy (XPS) characterizations. The results indicate that the generated composites with a specialized structure not only provide stable support for CaO but also regulate the RWGS process. Specifically, the formation of Ca2Fe2O5 facilitates the hydrogenation of CaCO3 via redox reactions, while the generation of CaMoO4 and Ca2FeMoO6 alleviates both the volume-change effects of CaO caused by CO2 adsorption–hydrogenation cycles and the carbon deposition side reactions caused by Fe. DFMs with a Mo/Fe mass ratio of 1:9 exhibited a CO2 capture capacity of 14.8 mmol/g DFM, a CO yield of 11.4 mmol/g DFM, and good cyclic properties at 650 °C, making it a promising DFM for ICCC–RWGS. In conclusion, the utilization of superstructures with superior redox reactivity and structural stability, such as perovskite and spinel, offers valuable insights into the design of DFMs for ICCC.
研究领域:
材料科学
·
化学工程
·
环境科学
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高影响因子
危险品化学品经营许可证（带存储）