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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2022 · IF 9.965

Polyhedron shaped palladium nanostructures embedded on MoO2/PANI-g-C3N4 as high performance and durable electrocatalyst for oxygen reduction reaction

Sabarinathan Ravichandran,Narayanamoorthy Bhuvanendran,R. Selva Kumar,Putrakumar Balla,Sae Youn Lee,Qian Xu,Huaneng Su

A hybrid catalyst support anchoring a noble metal catalyst could be a promising material for building interfacial bonding between metallic nanostructures and polymer functionalized carbon supports to improve the kinetics of oxygen reduction reaction (ORR). This study successfully prepared a polyhedron nanostructured Pd and MoO 2 -embedded polyaniline-functionalized graphitized carbon nitride (PANI-g-C 3 N 4 ) surface using a chemical reduction method. The Pd–Mo/PANI-g-C 3 N 4 achieved an ORR activity of 0.27 mA µg −1 and 1.14 mA cm −2 at 0.85 V, which were 4.5 times higher than those of commercial 20% Pt/C catalyst (0.06 mA µg −1 and 0.14 mA cm −2 ). In addition, the Pd–Mo/PANI-g-C 3 N 4 retained ∼ 77.5% of its initial mass activity after 10,000 cycles, with only 30 mV half-wave potential reduction. Further, the engineered potential active sites in the catalyst material verified the significant improvement in the ORR activity of the catalyst with increased life-time, and theoretical calculations revealed that the synergistic effect of the catalytic components enhanced the ORR kinetics of the active sites.

研究领域: 材料科学 · 电化学 · 催化化学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2025 · IF 21.1

Unlock high-efficiency ZnIn2S4 photocatalysis via designing hierarchical cocatalyst: Synergistic modulation of interfacial charge transfer and hydrogen adsorption

Shan Xue,Sheng Wei,Bingqian Guo,Jinfeng Cui,Zhimin Zhao,Guicun Li,Lei Wang,Jianfeng Huang,Alan Meng,Xuehua Wang,Zhenjiang Li

Cocatalyst engineering represents a promising approach for enhancing photocatalytic performance, yet the rational cocatalyst design to collaboratively optimize charge transfer kinetics and reaction thermodynamics remains a critical challenge. Herein, we developed a cocatalyst reconstruction strategy to fabricate a hierarchical cocatalyst of Mo/MoO 2 via controlled reduction of MoO 3 in an Ar/H 2 atmosphere. Comprehensive experimental and theoretical investigations indicate that the antibonding state electrons in metallic Mo transfer to MoO 2 , leading to increased antibonding-orbital occupancy and a weakened Mo-H ads bond in the Mo sites of Mo/MoO 2 cocatalyst. Furthermore, as the structure evolves from MoO 3 to Mo/MoO 2 , the work function decreases, contributing to a reduced energy barrier and thus facilitating efficient interfacial charge transfer between ZnIn 2 S 4 (ZIS) and Mo/MoO 2 . When coupled with ZIS, the resulting ZIS@Mo/MoO 2 photocatalyst performs an exceptional H 2 generation rate of 23.22 mmol·g −1 ·h −1 and a high apparent quantum yield of 15.26 % at 420 nm. This study demonstrates the feasibility of synergistically regulating kinetics and thermodynamics through rational cocatalyst design, offering a new pathway toward high-performance photocatalytic water splitting.

CAS / MDL: 62-55-5
研究领域: 光催化 · 材料科学 · 能量转换 · 氢气生产 · 纳米材料
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GREEN CHEMISTRY · 2026 · IF 9.2

Unlocking the activity of lattice oxygen in P-engineered MoO2 for efficient oxygen evolution reaction: a d-band center modulation perspective

Yi Xu,Fanshu Yuan,Xiaotian Xie,Jinhui Tong,Cheng Min,Qian Zhang,Jie Tang,Jie Liu,Tingting Lv,Qianli Zhang

Activating lattice oxygen in oxygen evolution reactions (OER) serves as an effective strategy to overcome the inherent limitations of the traditional adsorbate evolution mechanism (AEM). Molybdenum dioxide (MoO2), which has attracted attention due to its high electrical conductivity and other metallic properties, exhibits excessive adsorption of oxygen-containing intermediates at its elevated molybdenum d-band center. This leads to the formation of stable Mo–O bonds, thereby hindering the lattice oxygen mechanism (LOM). This study demonstrates that phosphorus doping serves as a more direct strategy for intrinsic electronic structure modulation. DFT calculations predict that phosphorus doping effectively lowers the d-band center of molybdenum and softens Mo–O bonds, thereby enabling lattice oxygen participation in the reaction mechanism. Consistent with the computational results, experimental kinetic studies (e.g., pH-dependent experiments) and chemical probe tests confirm that P-MoO2 follows the LOM pathway. The prepared P-MoO2 catalyst exhibits an overpotential of only 247 mV at 10 mA cm−2 current density while maintaining stability for up to 100 hours. Furthermore, through various characterization techniques (TEM, XPS, in situ Raman spectroscopy), it was observed that the catalyst underwent significant potential-induced surface reconstruction during the reaction process, forming an amorphous MoO(OH)x layer rich in Mo5+. This reconstructed layer is considered the true active phase, where Mo5+ has been confirmed as the dominant valence state in the OER process.

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DALTON TRANSACTIONS · 2025 · IF 3.3

Facile preparation of carbon, nitrogen co-doped NiMoO4·MoO2 heterostructures derived from polyoxometalate with ultrahigh energy density for zinc-ion capacitors

Yining Zhang,Yangyang Wen,Xiaoying Liu,Yingnan Zhang,Xiaoxue Jia,Wang Li,Hongxuan Tang,Hongfei Dou,Yannan Li,Yan Zhao

Aqueous zinc ion hybrid supercapacitors (ZHSC) have attracted great attention in recent years. However, their electrochemical performance is prohibited by the low energy density and poor cycling stability, mainly due to the difficulty in effectively activating the ionic and electronic conductivity of the cathode material. In this work, we innovatively propose a low-cost, precisely customized strategy for doping trace amounts of carbon and nitrogen elements into metal oxides to improve electrochemical performance. The carbon and nitrogen-doped NiMoO4·MoO2/NC heterostructures derived from polyoxometalates maintain high electrochemical activity while achieving high ionic conductivity. Trace amounts of carbon and nitrogen elements can significantly improve electronic conductivity and charge storage capacity. Due to the synergistic contribution, the composite structure with multi-redox sites exhibits a high specific capacity value of 364.96 F/g at 1 A/g in 1 M ZnSO4. A ZHSC was assembled with NiMoO4·MoO2/NC as the cathode and zinc sheet as the anode. After 10000 cycles, the capacitance retention rate still reached over 80 %. In addition, its energy density and power density can also reach 102 Wh Kg-1@4140 W Kg-1, which is higher than that of MoO2-based traditional supercapacitors. This strategy fully demonstrates the great practicality and development prospects of polyoxometalate derivatives for ZHSC.

CAS / MDL: 7786-81-4
研究领域: 材料科学 · 电化学
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

A high-efficiency urea electrolysis catalyst: Sulfur-doped lignin-derived carbon-encapsulated NiCo@MoO2 with triphasic interface and superhydrophilic/superaerophobic surfaces

Jiawei Li,Yunpeng Wang,Changzhou Chen,Xinyu Cao,Liancen Li,Yihao Xu,Ruyu Zhang,Jinli Chen,Minsheng Lu,Douyong Min,Guangfu Qian

To address the intrinsic activity and stability limitations of nickel-based heterojunction catalysts in the urea oxidation process (UOR) and the hydrogen evolution reaction (HER) under strongly alkaline conditions, a sulfur-doped lignin-derived carbon-encapsulated NiCo@MoO 2 heterostructure (NiCo@MoO 2 /SC) as a bifunctional catalyst is engineered. The physical properties, electrochemical characterization, and simulation results demonstrate that the built-in electric field at the triphasic interface synergistically optimizes the electronic structure of NiCo@MoO 2 /SC, enhancing the UOR process by rapidly generating the NiOOH active site. Meanwhile, charge redistribution in this heterostructure activates ortho‑carbon in the sulfur-doped carbon as HER active sites, significantly enhancing the HER process. Consequently, NiCo@MoO 2 /SC delivers exceptional catalytic activity in both UOR ( E 10/500/1000  = 1.26/1.38/1.40 V) and HER ( E −10/−500/−1000  = −27/−216/−288 mV). Besides, the carbon-encapsulated strategy improves corrosion resistance to enhance chemical stability, while the micro-nano array structure with the superhydrophilic/superaerophobic surfaces facilitates gas-liquid desorption to boost mechanical stability, enabling stable operation at ±1000 mA cm −2 for 100 h, even in a two-electrode system. This study proposes a viable approach to designing efficiency bifunctional electrocatalysts for urea electrolysis, while broadening the prospects of high-value utilization in biomass-derived carbon materials.

研究领域: 电化学 · 催化 · 材料科学 · 纳米技术 · 能量转换 · 表面工程
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iScience · 2024 · IF 4.6

Design of a long-lived Mo2C-MoO2@GC-N electrocatalyst by the ambient DC arc plasma for the hydrogen evolution reaction

Marian Chufarov,Yuliya Z. Vassilyeva,Xinyu Zhang,Shilin Li,Alexander Y. Pak,Wei Han

A crucial challenge in hydrogen production through electrolysis is developing inexpensive, earth-abundant, and highly efficient Pt-free electrocatalysts for the hydrogen evolution reaction (HER). Molybdenum carbide is ideal for this application because of its special electrical structure, low cost, and advantageous characteristics. Herein, the long-lived electrocatalysts for HER have been synthesized via the direct current (DC) arc discharge plasma method under ambient air conditions, and the relationship between the properties of materials and catalytic characteristics has been established. The samples differed in the ratio of molybdenum, graphite, and melamine. The sample with the highest proportion of melamine in the initial mixture has Mo2C-MoO2 heterointerfaces, which demonstrates the highest and most stable electrocatalytic activity with the overpotential of 148 mV at 10 mA·cm- 2 and Tafel slope of 63 mV·dec −1 in alkaline electrolyte. Meanwhile, the electrodes demonstrated long-lived electrochemical durability for two weeks and investigated the features of forming a stable system for HER.

CAS / MDL: 1310-58-3
研究领域: 材料科学 · 能源化学
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2026 · IF 8.3

Ni nanoparticles embedded in MoO2 micropillars as a heterojunction electrocatalyst for electrolysis of potassium carbonate solution to generate hydrogen and KOH

Rui Yan,Hongchao Wang,Jinyuan Miao,Anguo Tan,Ao Xie,Zhiqun Bai,Kai Yan,Yongmei Chen,Pingyu Wan,Yang Tang

Direct air carbon dioxide capture (DAC) is one of the promising ways to alleviate the increased carbon dioxide concentration in the atmosphere. Inorganic alkaline (KOH, NaOH, etc.) solutions, with strong alkalinity and low cost, are regarded as efficient absorbents for low-concentration CO 2 in air. To efficiently regenerate KOH from the K 2 CO 3 /KHCO 3 solution, the ion-selective membrane electrolysis method has attracted concern in recent years, which generates both high-concentration KOH solution and H 2 simultaneously. In order to reduce the cell voltage of the K 2 CO 3 /KHCO 3 electrolysis, the present paper proposes a two-step process of hydrothermal treatment and annealing to fabricate a heterojunction electrocatalyst with Ni nanoparticles in situ anchored on MoO 2 micropillars. In the prepared Ni NPs/MoO 2 MPs heterojunction catalyst, MoO 2 promotes the dissociation of the adsorbed water molecules and optimizes the H adsorption on the adjacent Ni active site. As a result, the Ni NPs/MoO 2 MPs catalyst shows an extremely low overpotential of 13 mV at 10 mA cm −2 in 1 M KOH and negligible performance deterioration after 100 h of electrolysis at 300 mA cm −2 , and 1000 CV cycles. Moreover, the electrolysis cell with Ni NPs/MoO 2 MPs cathode for electrolysis of carbonate solution achieves a high cathode current efficiency (>97 %) to generate high concentration KOH (6.9 M) solution, and a cell voltage of 2.69 V at 200 mA cm −2 , showing a superior performance to that of the precious Pt/C electrode-based cell. This non-precious Ni NPs/MoO 2 MPs electrocatalyst shows promising prospects for highly efficient electrolysis of K 2 CO 3 to generate H 2 and KOH.

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NEW JOURNAL OF CHEMISTRY · 2021 ·Vol. 45 ·期 27 ·12064-12070 · IF 3.591

Metal–organic framework-engaged synthesis of core–shell MoO2/ZnSe@N-C nanorods as anodes in high-performance lithium-ion batteries

Ming Zhong,Lingling Li,Kun Zhao,Hui Peng,Shixian Xu,Bitao Su,Dahui Wang

Searching for novel alternatives to the traditional graphite anode in high performance lithium-ion batteries is of great significance, which, however, faces many challenges. In this work, pyrolysis coupled with a selenization strategy was adopted to synthesize a one-dimensional core–shell nanorod composite (MoO2/ZnSe@N-C) by using zeolitic-imidazole framework coated molybdenum trioxide as a precursor. The as-obtained material comprises a zinc selenide loaded molybdenum dioxide core and a nitrogen-doped carbon shell, which can enhance the specific capacity through conversion reactions and buffer the volume change as well as promote the electrical conductivity, respectively. When used as an anode in lithium-ion batteries, the optimized MoO2/ZnSe@N-C sample delivers a high specific capacity (807 mA h g−1 at 100 mA g−1 for 100 cycles) with a coulombic efficiency up to 99%, a good rate capability, and long-term cycling stability for 900 cycles at 500 mA g−1 which is better than that of MoO3 and ZIF-8 derived materials. In addition, the lithium storage mechanism was analyzed by cyclic voltammetry at various scanning rates and the result indicates that the capacitive-controlled behavior dominates the Li+ ion transport kinetics process.

CAS / MDL: 12054-85-2 693-98-1
研究领域: 材料科学 · 能源存储技术
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2016 · IF 3.205

Enhanced visible-light photocatalytic hydrogen evolution activity of Er3+:Y3Al5O12/PdS–ZnS by conduction band co-catalysts (MoO2, MoS2 and MoSe2)

Yahui Song,Shengnan Wei,Yang Rong,Chunxiao Lu,Yang Chen,Jun Wang,Zhaohong Zhang

Several conduction band co-catalysts (CBCOs), MoO 2 , MoS 2 and MoSe 2 , were prepared to improve the visible-light photocatalytic hydrogen evolution activity of Er 3+ :Y 3 Al 5 O 12 /PdS–ZnS from water splitting, in which the PdS is a valence band co-catalyst (VBCO) used to facilitate the photo-generated hole transfer and the Er 3+ :Y 3 Al 5 O 12 is an up-conversion luminescence agent from visible light to ultraviolet light used to provide the ultraviolet light satisfying the energy demands of wide band-gap ZnS photocatalyst . XRD , SEM, TEM and EDX analyses were employed to confirm the morphology, microstructure and composition of the prepared photocatalysts. UV–vis absorption and PL spectra were also determined to explore luminescence effect of the Er 3+ :Y 3 Al 5 O 12 . The visible-light photocatalytic hydrogen evolution activity of the prepared photocatalysts was evaluated by using Na 2 S and Na 2 SO 3 as sacrificial reagents in aqueous solution under visible light irradiation . The influential factors such as contents of CBCOs (MoO 2 , MoS 2 and MoSe 2 ) and visible-light irradiation time on visible-light photocatalytic hydrogen evolution of Er 3+ :Y 3 Al 5 O 12 /PdS–ZnS–MoX 2 (X = O, S and Se) were investigated in detail. Particularly, Er 3+ :Y 3 Al 5 O 12 /PdS–ZnS–MoSe 2 with 0.30 wt% MoSe 2 shows the highest photocatalytic hydrogen evolution activity.

研究领域: 材料科学 · 能源化学
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Small · 2017 ·Vol. 13 ·期 32 ·1701246 · IF 8.643

Formation of Mo–Polydopamine Hollow Spheres and Their Conversions to MoO2/C and Mo2C/C for Efficient Electrochemical Energy Storage and Catalyst

Chunli Wang,Lianshan Sun,Feifei Zhang,Xuxu Wang,Qujiang Sun,Yong Cheng,Limin Wang

Highly uniform hierarchical Mo–polydopamine hollow spheres are synthesized for the first time through a liquid-phase reaction under ambient temperature. A self-assembly mechanism of the hollow structure of Mo–polydopamine precursor is discussed in detail, and a determined theory is proposed in a water-in-oil system. Via different annealing process, these precursors can be converted into hierarchical hollow MoO 2 /C and Mo 2 C/C composites without any distortion in shape. Owing to the well-organized structure and nanosize particle embedding, the as-prepared hollow spheres exhibit appealing performance both as the anode material for lithium-ion batteries and as the catalyst for hydrogen evolution reaction (HER). Accordingly, MoO 2 /C delivers a high reversible capacity of 940 mAh g −1 at 0.1 A g −1 and 775 mAh g −1 at 1 A g −1 with good rate capability and long cycle performance. Moreover, Mo 2 C/C also exhibits an enhanced electrocatalytic performance with a low overpotential for HER in both acidic and alkaline conditions, as well as remarkable stability.

研究领域: 材料科学 · 电化学 · 纳米材料 · 能源存储 · 催化化学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2026 · IF 19.7

Facet-engineered NiMo-MoO2 heterostructure with enhanced built-in electric field for anion exchange membrane water electrolysis at industrial-grade current density

Yindong Wang,Jinshan Han,Anran Xie,Jianbing Zhu,Chengji Zhao

A novel facet-engineered NiMo-MoO 2 catalyst (Fac/NiMo/NF) was synthesized. • Fac/NiMo/NF shows a low overpotential of 119 mV for hydrogen evolution reaction (HER) to reach 1 A cm −2 . • Fac/NiMo/NF delivers a low cell voltage of 2 V at 80 ℃ to reach 5.2 A cm −2 in anion exchange membrane water electrolysis (AEMWE). • Fac/NiMo/NF catalyst demonstrates excellent durability for 2000 h in AEMWE at industrial-grade current density (2 A cm −2 ). Anion exchange membrane water electrolysis (AEMWE) is emerging as a promising technology for green hydrogen production. However, the synthesis of efficient noble metal-free catalysts remains a critical challenge. Herein, we report a heterointerface-enabled NiMo-MoO 2 (−101) catalyst (Fac/NiMo/NF) synthesized via an electrostatic adsorption strategy, in which the MoO 2 component preferentially exposes the (−101) facet instead of the conventional (−111) facet. This facet-selective exposure fundamentally reconstructs the interface configuration and substantially increases work function difference across the NiMo-MoO 2 heterointerface. The resulting strong built-in electric field promotes interfacial charge redistribution and accelerates hydrogen evolution reaction (HER) kinetics. Moreover, the NiMo-MoO 2 (−101) heterointerface promotes water dissociation, thereby accelerating the Volmer step and enhancing the HER activity. Density functional theory calculations further reveal that the NiMo-MoO 2 (−101) possesses optimal hydrogen adsorption, accounting for its superior activity. The AEMWE assembled with Fac/NiMo/NF as the cathode exhibits a current density of 5.2 A cm −2 at 2 V and demonstrates excellent durability for 2000 h at an industrial-grade current density of 2 A cm −2 . This work highlights that integrating facet engineering with heterointerface design offers an effective strategy for developing durable, high-performance self-supported electrodes for practical water electrolysis. Download: Download high-res image (144KB) Download: Download full-size image

CAS / MDL: 10241-05-1 10294-41-4
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RSC Advances · 2019 ·Vol. 9 ·期 64 ·37556-37561 · IF 3.049

Ultrafine MoO2 nanoparticles encapsulated in a hierarchically porous carbon nanofiber film as a high-performance binder-free anode in lithium ion batteries

Xin Chen,Guojun Gao,Zhipeng Wu,Jun Xiang,Xiaoqiang Li,Guangguang Guan,Kaiyin Zhang

Flexible free-standing hierarchically porous carbon nanofibers embedded with ultrafine (∼3.5 nm) MoO2 nanoparticles (denoted as MoO2@HPCNFs) have been synthesized by electrospinning and subsequent heat treatment. When evaluated as a binder-free anode in Li-ion batteries, the as-obtained MoO2@HPCNFs film exhibits excellent capacity retention with high reversible capacity (≥1055 mA h g−1 at 100 mA g−1) and good rate capability (425 mA h g−1 at 2000 mA g−1), which is much superior to most of the previously reported MoO2-based materials. The synergistic effect of uniformly dispersed ultrasmall MoO2 nanoparticles and a three-dimensionally hierarchical porous conductive network constructed by HPCNFs effectively improve the utilization rate of active materials, enhance the transport of both electrons and Li+ ions, facilitate the electrolyte penetration, and promote the Li+ storage kinetics and stability, thus leading to a greatly enhanced electrochemical performance.

研究领域: 材料科学 · 能源存储与转换
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