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JOURNAL OF ALLOYS AND COMPOUNDS · 2026 · IF 6.7

High-valence Mo Doping Inducing Radial Primary Particles for High-Performance Ultra-High-Nickel NCMA Cathodes

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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ACS Nano · 2026 · IF 17.3

Synergizing Pt–O–Mo Coupling and Electron Gradient: A Nanozyme Paradigm for Low-Dose Tumor Radiosensitization

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.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Mo-regulated NiOOH reconstruction and oxygen-intermediate conversion on Co3S4/Ni3S2 heterostructures for overall water splitting

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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Energy Materials · 2026 ·Vol. 6 ·期 8 ·N · IF 11.9

Reconstruction-mediated interfacial water engineering in Cu-Mo electrocatalyst for highly efficient and durable water splitting

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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NEW JOURNAL OF CHEMISTRY · 2025 · IF 2.5

Bifunctional Mo-doped SnS2 nanosheets enabling synergistic polysulfide confinement and catalytic conversion in Li–S batteries

Rong Li,ZhiHui Hao,Xiangwei Zhao,Huilin Zhou,Zhimin He,Qin Dong,Wei Hong,Xinglong Gou

Metal sulfides, such as SnS2, have been extensively studied as separator modifiers in lithium–sulfur batteries (LSBs) owing to their dual functionality in chemically anchoring lithium polysulfides (LiPSs) and catalytically facilitating redox reactions. Nevertheless, poor electrical conductivity and limited catalytic efficiency restrict their practical implementation for LiPS transformation kinetics. To address these issues, we prepared Mo-doped SnS2 (Mo–SnS2) nanosheets with sulfur vacancies through a rapid one-pot formamide-assisted method. The incorporation of Mo heteroatoms not only improves conductivity but also induces favorable sulfur vacancies, synergistically promoting both adsorption and electrocatalytic conversion of LiPSs. The Li–S cell with a Mo–SnS2 nanosheet-modified separator delivers a remarkable initial capacity of 1007.5 mAh g−1 at 1C, maintains 799.5 mAh g−1 after 600 cycles with a low fading ratio of 0.034% per cycle, and demonstrates a favorable rate performance of 591.9 mAh g−1 at 5C. This defect engineering strategy through heteroatom doping offers a promising approach to concurrently mitigate the polysulfide shuttle effect and enhance the reaction kinetics in sulfur-based energy storage systems.

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2025 · IF 8.3

Modulation of Ni3Se2/NiSe electronic structure by Mo doping for efficient simultaneous H2 and formate production

Yanxia Wu,Hanbin Jin,Xiaoling Zhou,Lulu Guo,Qingtao Wang

Oxidizing glycerol to produce formate as a substitute for the traditional slow anodic oxygen evolution reaction is an effective strategy to enhance hydrogen production efficiency and reduce associated costs. However, the development of efficient and stable catalysts remains a significant challenge for the glycerol oxidation reaction coupled with water electrolysis. In this study, we synthesized molybdenum-doped Ni 3 Se 2 /NiSe nanomaterials supported on nickel foam using a straightforward one-step hydrothermal method. In a 1 M KOH solution, the Mo 0.2 catalyst exhibited exceptional electrocatalytic oxidation performance. Specifically, during the glycerol oxidation process, it achieved a current density of 10 mA cm −2 at a remarkably low potential of 1.20 V (vs. RHE) and demonstrated good electrochemical stability at a current density of 50 mA cm −2 . Studies indicate that the incorporation of molybdenum atoms modifies the chemical environment of nickel and selenium atoms, which not only enhances the electrocatalytic activity of the catalyst but also improves the stability of the material itself. Additionally, it facilitates the catalytic oxidation of glycerol at the anode while concurrently promoting hydrogen evolution at the cathode, resulting in the efficient simultaneous production of hydrogen and formate.

CAS / MDL: 56-81-5
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Small · 2026 · IF 11.8

Interface-Defect-Rich In-Mo Codoped Pd Metallene for Enhanced C1 Selectivity During Electrocatalytic Ethanol Oxidation

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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ACS Applied Energy Materials · 2026 · IF 5.5

The Synergistic Effect of Ni–Mo–S in Promoting the Hydrogen Storage Performance of Magnesium Hydride

Jingqi Che,Lingying Chen,Mengran Li,Rui Shi,Jiguang Zhang,Yana Liu,Jun Wang,Yunfeng Zhu

Catalytic doping is considered one of the most efficient strategies to achieve superior performance of MgH2, as rationally designed catalytic components can exhibit synergistic effects, thereby optimizing the kinetic pathways. In this study, the hydrothermal method was adopted to prepare clustered Ni–Mo–S catalysts, which were used to modify MgH2 to enhance its kinetic performance. Experimental results demonstrate that the molar proportion of Ni to Mo significantly impacts the modification effect of Ni–Mo–S catalysts on MgH2. Furthermore, the catalyst whose molar ratio of Ni/Mo is 7:2 achieves the optimal catalytic efficiency. Specifically, at 125 °C, MgH2-5 wt % Ni–Mo–S can absorb 4.61 wt % H2 in 1200 s. At a relatively low temperature of 250 °C, it manifests a rapid dehydrogenation rate and releases 5.81 wt % H2 in 2000 s. The hydrogenation (41.98 kJ/mol) and dehydrogenation (86.41 kJ/mol) activation energies of MgH2-5 wt % Ni–Mo–S are reduced by 48.87 and 43.79% compared to as-milled MgH2, respectively. Mechanism analysis suggests that this improvement may be ascribed to the following reasons: (1) The hydrogen pump effect of Mg2Ni/Mg2NiH4 facilitates the hydrogen diffusion; (2) electron transfer between Mo species with different valence states weakens the Mg–H bonds; (3) the in situ formed MgS serves as diffusion channels for hydrogen atoms, expediting hydrogen transport. This work provides a valuable outlook for constructing highly active catalysts for MgH2 hydrogen storage.

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Catalysis Science & Technology · 2022 ·Vol. 12 ·期 24 ·7510-7519 · IF 6.177

Enhanced ammonia synthesis performance of a ceria-supported bimetallic catalyst by changing Co and Mo segregation

Biyun Fang,Jiahui Li,Fangming Liu,Chuanfeng Zhang,Chunyan Li,Jun Ni,Jianxin Lin,Bingyu Lin,Lilong Jiang

The development of a Co–Mo bimetallic catalyst played a crucial role in ammonia synthesis. However, its underlying mechanism is not well understood and the optimal catalyst has yet to be obtained. Herein, we designed two methane-treated ceria-supported Co–Mo bimetallic catalysts with different dispersions and segregations of Mo and Co species by changing the order of addition of Mo and Co species. There is the segregation of Mo and Co species on the surface of the catalyst with the subsequent addition of Co and Mo species (Mo/Co–C), leading to a higher proportion of low oxidation states of Mo species as well as a larger amount of exposed Mo and Co species, oxygen vacancies and concentration of Ce3+. As a result, there is a larger amount of nitrogen and hydrogen species adsorbed on Mo/Co–C, and the migration and exchange of the adsorbed hydrogen species are also boosted. Mo/Co–C shows 1.7 times higher ammonia synthesis activity and a superior pressure effect in ammonia synthesis than its counterpart obtained by the simultaneous addition of Co and Mo species. These findings are essential for the further development of bimetallic catalysts.

CAS / MDL: 10026-22-9
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH · 2023 ·Vol. 30 ·期 16 ·48389-48400 · IF 5.8

Coupling the effect of Co and Mo on peroxymonosulfate activation for the removal of organic pollutants

Zhao Huanxin,Chen Wenkai,Wu Dan,Liu Xinyue,Hu Wanjie,Zhang Xuejun

Although heterogeneous cobalt-based catalysts have been widely studied and used in SO 4 •− based advanced oxidation processes, the efficiencies were still not high enough due to the limiting step of Co(III)/Co(II) cycle in the system. In this study, a bimetallic oxide composed of Co and Mo was designed and used for enhancing the performance of peroxymonosulfate activation on organic pollutants removal. The CoMoO 4 nanorods exhibited superior catalytic activity for methylene blue (MB) degradation than Co 3 O 4 , MoO 3 , and their mechanical mixture, which was attributed to the synergetic effect between Co and Mo. CoMoO 4 nanorods were able to efficiently degrade MB under a wide pH range of 3–11 and could maintain high efficiency in 5 cycles with less leakage of metal ions. Moreover, CoMoO 4 nanorods displayed broad spectrum applicability to the different water matrix and a variety of pollutants such as phenol and Congo red. The Co(II) was proved to be the main active site of the catalyst, while Mo played an important role in promoting the Co(III)/Co(II) cycle. Surface free radicals are the main active species in the degradation process. This work provides new insights into the design of cobalt-based bimetallic catalyst and the improvement on PMS activation.

CAS / MDL: 299-11-6
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2023 · IF 7.2

The Mo as electron trapper and donor to modulate the electron of CoP2 in phosphating process

Peilin Wu,Lin Gao,Liuyan Dong,Zihan Lin,Lili Cui

To prepare bifunctional electrocatalyst towards HER and OER is extremely important for promoting the development of electrochemical water splitting technology. Herein, the element doping method is employed to tune the electron environment of cobalt phosphide (CoP). The Mo-doped CoP supported on carbon cloth (CC) is constructed by solvothermal and annealing method. The effect of Mo on the electron modulation of CoP during different phosphating time was studied carefully. It is noted that the Mo play an important role in tuning the electron state of Co and P elements which can trap the electron and was reduced to low valence, then transfer the electron to Co and P. With increasing the phosphating time, the electron transfer phenomenon between Mo and CoP is obvious. Benefiting from the electron engineering of Mo, Co and P as well as thin and wrinkle sheets structure, the optimal electrocatalyst only requires 39 mV and 251 mV to deliver 10 mA cm −2 for HER and OER, respectively. Also, as for the whole water splitting performance, it delivers 10 mA cm −2 at cell voltage of 1.56 V. Importantly, Faraday efficiency of the optimal catalyst achieves 99.9% for HER due to the tuned electron state of Co and P, high ECSA and low R ct .

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MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING · 2023 · IF 6.4

Effects of oxides nanoparticles on the microstructure and properties of Mo composites prepared via SPS sintering

Shu-Xin Yan,Guo-Dong Sun,Jian-Ping Xu,Jia Xu,Fu-Fa Wu

Simultaneous achieving the second-phase particle strengthening, high density, and fine grain is a great difficulty for designing and preparing Mo alloys . In this study, the effects of γ-Al 2 O 3 and Y 2 O 3 nanoparticles on the microstructures and properties of Mo composites prepared via spark plasma sintering (SPS) were systematically investigated. It was found that for pure Mo and Mo–Y 2 O 3 powders, Mo compact with both high density and fine grain size can't be achieved. However, Mo-Al 2 O 3 composite with both a relatively high density (98%) and a fine grain size (1.67 μm) was synthesized successfully. The small γ-Al 2 O 3 particles transformed into larger κ-Al 2 O 3 particles by obvious grain boundary migration and grain growth in the sintering process, which effectively pinned the migration of Mo grain boundary with few effects on the surface atom diffusion of Mo. Moreover, there was a crystallographic orientation relationship between the κ-Al 2 O 3 particles and Mo matrix (Mo (110)//Al 2 O 3 ( 13 4 ‾ 1 )). Ultrafine Mo composite containing dispersed Al 2 O 3 particles with stable boundary adhesion can efficiently hinder dislocation movement and crack propagation , resulting in the obvious enhancements of bending strength , hardness and compressive yield strength.

CAS / MDL: 1344-28-1 1314-36-9
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