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AICHE JOURNAL · 2025 · IF 4

A facile Mo doping strategy for high-entropy spinel oxide towards efficient oxygen evolution reaction

Biao Yang,Ze-Peng Bai,Run-Dong Cui,Xiao-Fei Zeng,Jie-Xin Wang

Hydrogen production via water electrolysis is limited by the high energy barrier of the oxygen evolution reaction (OER). As an emerging oxide material, high-entropy oxides (HEOs) are regarded as promising OER electrocatalysts owing to the multielement synergistic effect. Herein, a facile approach is proposed to synthesize Mo-doped high-entropy spinel oxide Mo-(FeCoNiCrMn) 3 O 4 nanoparticles (Mo-HEO). Interestingly, only low-content Mo doping into HEO can reduce the crystallite size, prevent particle agglomeration, and modulate the electron structure. Consequently, the electrocatalyst of 6% Mo-HEO exhibits superior OER performance with overpotentials of only 280 and 324 mV at 10 and 100 mA cm −2 . In situ Raman spectroscopy confirms the transformation of surface spinel sites to metal oxyhydroxide, highlighting the Mo-driven surface reconstruction. Furthermore, Mo doping as a versatile strategy has been successfully extended to other spinel oxides with significant activity improvements, offering a great potential in the development of spinel-typed HEO electrocatalysts.

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INORGANIC CHEMISTRY · 2023 · IF 4.6

Bimetals Ni–Mo–S-Modified Hollow Cubic Cu2–xS for Visible-Light Photocatalytic H2 Evolution

Ning Li,Wenwen Zhao,Linping Li,Yangqin Gao,Lei Ge

Photocatalysts with hollow structures have drawn great interest owing to their high specific surface area, which can enhance the photocatalytic performance. Herein, we designed the hollow cubic Cu2–xS@Ni–Mo–S nanocomposites by vulcanizing from the Cu2O template and loading the Ni–Mo–S lamellas. The Cu2–xS@Ni–Mo–S composites greatly improved the photocatalytic hydrogen performance. Among them, Cu2–xS–NiMo-5 achieved the optimal photocatalytic rate of 1326.07 μmol/g h, which is approximately 3.85 times higher than that of hollow Cu2–xS (344 μmol/g h) and had good stability for 16 h. The enhanced photocatalytic property was attributed to the metallic behavior of bimetallic Ni–Mo–S lamellas and the LSPR (localized surface plasmon resonance) effect of Cu2–xS. The bimetallic Ni–Mo–S can effectively capture the photogenerated electrons and quickly transfer-diffuse to produce H2. Meanwhile, the hollow Cu2–xS not only provided many more active sites to take part in the reaction but also introduced the LSPR effect to increase the solar utilization. This work provides valuable insights into the synergistic effect of using non-precious metal co-catalysts and the LSPR materials to assist in the photocatalytic hydrogen evolution.

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International Journal of Minerals Metallurgy and Materials · 2022 ·Vol. 29 ·期 11 ·2012-2019 · IF 3.85

Microstructure refinement and second phase particle regulation of Mo−Y2O3 alloys by minor TiC additive

Hu Weiqiang,Gong Fengming,Liu Shaocun,Tan Jing,Chen Songhua,Wang Hui,Ma Zongqing

The oxide dispersion strengthened Mo alloys (ODS-Mo) prepared by traditional ball milling and subsequent sintering technique generally possess comparatively coarse Mo grains and large oxide particles at Mo grain boundaries (GBs), which obviously suppress the corresponding strengthening effect of oxide addition. In this work, the Y 2 O 3 and TiC particles were simultaneously doped into Mo alloys using ball-milling and subsequent low temperature sintering. Accompanied by TiC addition, the Mo−Y 2 O 3 grains are sharply refined from 3.12 to 1.36 µm. In particular, Y 2 O 3 and TiC can form smaller Y−Ti−O−C quaternary phase particles (∼230 nm) at Mo GBs compared to single Y 2 O 3 particles (∼120 nm), so as to these new formed Y−Ti−O−C particles can more effectively pin and hinder GBs movement. In addition to Y−Ti−O−C particles at GBs, Y 2 O 3 , TiO x , and TiC x nanoparticles (<100 nm) also exist within Mo grains, which is significantly different from traditional ODS-Mo. The appearance of TiO x phase indicates that some active Ti within TiC can adsorb oxygen impurities of Mo matrix to form a new strengthening phase, thus strengthening and purifying Mo matrix. Furthermore, the pure Mo, Mo−Y 2 O 3 , and Mo−Y 2 O 3 −TiC alloys have similar relative densities (97.4%–98.0%). More importantly, the Mo−Y 2 O 3 −TiC alloys exhibit higher hardness (HV 0.2 (425 ± 25)) compared to Mo−Y 2 O 3 alloys (HV 0.2 (370 ± 25)). This work could provide a relevant strategy for the preparation of ultrafine Mo alloys by facile ball-milling.

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CATALYSIS LETTERS · 2017 ·Vol. 147 ·期 10 ·2515-2522 · IF 2.799

Controlled Synthesis of Mesoporous Nitrogen-Doped Carbon Supported Ni-Mo Sulfides for Hydrodesulfurization of Dibenzenethiophene

Zhang Zhenwei,Jiang Xingmao,Hu Jianheng,Yue Chuanjun,Zhang Jintao

Mesoporous nitrogen-doped carbon was synthesized in a controlled manner by a modified deep eutectic solvent method using silica nanoparticles as templates. Various amounts of urea and glucose, which contain hydrogen acceptor and hydrogen bond donor groups were heated and stirred to form homogeneous liquid precursors like deep eutectic solvents, and nitrogen element was uniformly dispersed on an atom scale. Ni-Mo sulfides supported on mesoporous carbon with varying N dopping exhibit excellent hydrodesulfurization (HDS) catalytic performance such as high conversion and good recycling stability in the HDS of dibenzenethiophene. Further investigation showed that a suitable N content in the carbon support enhance the HDS properties and the HDS conversion could reach up to 96%. Graphical

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METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE · 2020 ·Vol. 51 ·期 4 ·1773-1783 · IF 2.035

Effect of Cerium on the Austenitic Nucleation and Growth of High-Mo Austenitic Stainless Steel

Wang Qi,Wang Lijun,Zhang Wei,Li Jianmin,Chou Kuochih

The influence of small amounts of cerium on the solidification phenomena of S31254 high-Mo austenitic stainless steel was investigated by in situ observations and theoretical calculations. In situ observations indicate that cerium addition in molten steel can accelerate austenitic nucleation but inhibit primary austenite grain growth. The initial nucleation temperature occur 32.3 °C in advance and the nucleation site density increases to 176/mm after 2 seconds in S31254-Ce compared to S31254. The modified Ce-containing inclusions in S31254-Ce improve the ability for austenite heterogeneous nucleation, which would significantly reduce the energy barrier of nucleation. The nucleation mechanism obtained from Johnson–Mehl–Avrami–Kologoromov (JMAK) theory is changed from site saturation nucleation to site saturation plus Avrami nucleation after cerium addition. Furthermore, cerium addition also prolongs the whole solidification temperature range from 28 °C to 43.9 °C and limits the growth velocity of a single austenite grain from approximately 20 to 2 μ m/s. The ratio of the solid phase decreases from 60 to 8.2 pct, but the grain density increases from 68.8 to 280/mm 2 , with the solidification time extended to 8 seconds after cerium addition. Thus, the main solidification behavior in the early solidification stage of S31254-Ce is nucleation instead of primary grain growth. The low growth velocity for austenite grains and significant high nucleation site density exhibit a low rate constant k during the solidification process. Moreover, cerium addition could significantly refine the solidified structure, and the grain density of the final solidified structure in S31254-Ce is 366.6/mm 2 .

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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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APPLIED CATALYSIS B-ENVIRONMENTAL · 2026 · IF 19.7

Engineering W/Mo-modified Ni3S2 with local crystalline/disordered interfacial domains for efficient alkaline hydrogen evolution

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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JOURNAL OF ALLOYS AND COMPOUNDS · 2026 · IF 6.7

In situ Mo-leaching constructs Ni-Co hydroxide solid solution nanorods for synergistic alkaline hydrogen evolution

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.

CAS / MDL: 7786-81-4
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Energy & Environmental Materials · 2026 · IF 13.8

Synthesis of Carbon Nanotubes From CO2 Enabled by Fe–Mo Bimetallic Catalysts via Effective CO2 Scavenging

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.

CAS / MDL: 12054-85-2
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JOURNAL OF ALLOYS AND COMPOUNDS · 2026 · IF 6.7

Mo doping engineering induced sulfur vacancies of WS2 for electrochemical performance: Implications for hydrogen evolution reaction

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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