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ADVANCED FUNCTIONAL MATERIALS · 2023 ·Vol. 34 ·期 12 ·2311040 · IF 19

In-Plane Heterostructured MoN/MoC Nanosheets with Enhanced Interfacial Charge Transfer for Superior Pseudocapacitive Storage

Cheng Wang,Xiuli Li,Hao Song,Paul K Chu,Kaifu Huo

2D transition metal carbide/nitride heterostructures are emerging pseudocapacitive materials for supercapacitors (SCs); however, the lack of efficient synthesis methods and an in-depth understanding of the pseudocapacitive storage mechanism of these potentially important materials impede their applications in SCs. Herein, 2D MoN/MoC nanosheets with a precisely regulated interface are prepared controllably by a scalable salt-assisted method with bulk MoS 2 as the precursor. In operando infrared spectroscopy and electrochemical quartz crystal microbalance results reveal that the pseudocapacitance of the MoN/MoC nanosheets originates from the reversible reaction between Mo–N sites and H + in the acidic electrolyte. Density-functional theory calculations and X-ray photoelectron spectroscopy disclose that the MoC/MoN heterointerface induces the internal electric field from the accumulated negative charges at the Mo–N sites by electron donation from MoC, leading to enhanced H + adsorption at the Mo–N sites and superior pseudocapacitive storage. The heterostructured MoN/MoC nanosheets show a large volumetric capacity of 1045.3 F cm −3 at 1 A cm −3 , high-rate capability of 702.8 F cm −3 at 10 A cm −3 , and superior cyclability with capacity retention of 98% after 10,000 cycles, which outperform reported Mo-based carbides and nitrides. The results provide new insights into the development of high-performance 2D heterostructured materials for superior pseudocapacitive storage.

研究领域: 材料科学 · 电化学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2022 · IF 9.965

3-D nitrogen-doped carbon cage encapsulated ultrasmall MoC nanoparticles for promoting simultaneous ZnIn2S4 photocatalytic hydrogen generation and organic wastewater degradation

Sijia Liu,Xifei Zhou,Junxian Qin,Chaohai Wei,Yun Hu

Simultaneous redox reactions on photocatalysts make it possible to use wastewater for hydrogen production . The controlled synthesis of ultrasmall metal carbides effectively enhances the photocatalytic efficiency under this system. Here, we report a new type of cocatalyst in which a three-dimensional (3-D) nitrogen-doped carbon cage (NGC) of metal–organic framework derivatives encapsulates ultrasmall MoC nanoparticles (MoC@NGC), promoting simultaneous degradation of organic pollutants and hydrogen production by ZnIn 2 S 4 (ZIS). Characterization analyses showed that MoC accelerated the separation of the photogenerated carrier and effectively reduced the overpotential of hydrogen evolution , while NGC promoted the good dispersion of MoC particles and provided sufficient sites. The MoC@NGC/ZIS composite exhibited a high hydrogen (H 2 ) evolution rate of 1012 µmol g –1 h −1 , which exceed that of ZIS loaded with platinum. In the coupled system, where the electron donor was replaced with rhodamine B (RhB), the mechanism analysis showed that RhB and the as-generated intermediates consumed holes and facilitated hydrogen evolution. In addition, we designed a combined photocatalytic anoxic and oxic sequence process to achieve the recovery of hydrogen energy during the treatment of dye wastewater. This study provides a new way for cooperation between energy development and environmental protection.

研究领域: 材料科学 · 环境科学 · 能源 · 化学
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ACS Nano · 2024 · IF 15.8

Coembedding Fe Single Atom–Coupled MoC Nanoparticles in N-Doped Hierarchically Porous Carbon Cubes for Oxygen Electroreduction

Qin Li,Jing Zhao,Peng Li,Zhengrong Xu,Jie Feng,Bo Chen,Rui Liu

Promotion of oxygen reduction reaction (ORR) kinetics, to a large extent, depends on the rational modulation of the electronic structure and mass diffusion of electrocatalysts. Herein, a ferrocene (Fc)–assisted strategy is developed to prepare Fc-trapped ZnMo–hybrid zeolitic imidazolate framework (Fc@ZnMo-HZIF-50) and the derived Fe single atom coupling with MoC nanoparticles, coembedded in hierarchically porous N-doped carbon cubes (MoC@FeNC-50). The introduced Fc is utilized not only as an iron source for single atoms but also as a morphology regulator for generating a hierarchically porous structure. The redistribution of electrons between Fe single atoms and MoC nanoparticles effectively promotes the adsorption of O2 and the formation of *OOH intermediates during the ORR process. Along with a 3D hierarchically porous architecture for enhanced mass transport, the as-fabricated MoC@FeNC-50 presents excellent activity (E1/2 = 0.83 V) and durability (only 9.5% decay in current after 40000 s). This work could inspire valuable insights into the construction of efficient electrocatalysts through electron configuration and kinetics engineering.

研究领域: 材料科学 · 电化学
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ACS Catalysis · 2021 · IF 13.084

High-Efficiency Water Gas Shift Reaction Catalysis on α-MoC Promoted by Single-Atom Ir Species

Li Sun,Junkang Xu,Xiaoyan Liu,Botao Qiao,Lin Li,Yujing Ren,Qiang Wan,Jian Lin,Sen Lin,Xiaodong Wang,Hua Guo,Tao Zhang

Single-atom catalysts (SACs) with complete dispersion of metal species on substrates provide the ultimate atom economy and opportunities for improved heterogenous catalysis or to develop more catalyst formulation. However, atomically dispersed dopants can also improve the catalyst in an indirect capacity. Here, we report an Ir1/α-MoC SAC that exhibits high activity for water gas shift reaction with ∼100% CO conversion at 150 °C. The reaction rate of this catalyst is orders of magnitude higher than previous Ir-based catalysts and ∼4 times that of α-MoC. Experimental characterizations combined with density functional theory (DFT) calculations reveal that such good performance originates from the effective catalysis by the α-MoC substrate with Ir1 serving as a single-atom promoter. DFT calculations also establish a correlation between the active Mo sites and the catalytic performance for water gas shift reaction. This work highlights the possibility of enhancing catalysis by single-atom promoters as a promising strategy for designing effective SACs.

CAS / MDL: 12054-85-2
研究领域: 化学 · 材料科学 · 催化科学
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Journal of Materials Chemistry A · 2022 ·Vol. 10 ·期 8 ·4110-4119 · IF 14.511

Three-dimensional hierarchical MoO2/MoC@NC-CC free-standing anode applied in microbial fuel cells

Da Liu,Wenkai Fang,Jiangtao Li,Liling Zhang,Mei Yan,Hongwu Tang

In general, enrichment of a higher number of exoelectrogens implies higher power density. However, the low electrocatalytic activity of anodes limits the performance of microbial fuel cells. Here, based on this consideration, we designed and fabricated an anode by integrating the 3D hierarchical architecture and excellent electrocatalytic activity of MoO2/MoC@NC nanodendrites grown on carbon fiber cloth. The as-designed MoO2/MoC@NC-CC electrode exhibits a relatively large specific areal capacitance of 710.21 F m−2 and a charge transfer resistance of only 5.29 Ω, which are 46.9 times higher and 67.9 times lower than those of the bare carbon cloth (CC) anode respectively, providing abundant electroactive sites for the colonization of exoelectrogens and accelerating the rate of extracellular electron transfer. At the same time, there was a positive correlation between the enrichment amount of Geobacter and the power density, demonstrating the successful preparation of the desired electrode. In addition, the branched-lily-like architecture of the MoO2/MoC@NC-CC anode exhibits super hydrophilicity and open 3D structure, facilitating microbial attachment, colonization, proliferation and diffusion of the internal culture matrix, thus shortening the start-up time and improving the long-term stable current output. Consequently, the MoO2/MoC@NC-CC anode achieved the maximum power density of 2.93 W m−2, which is improved by 70.3% compared to that of the bare CC, and is also the best among the reported Mo-based nanomaterial modified electrodes. This work presents valuable insights for the design and fabrication of high performance anodes for MFCs.

研究领域: 能源材料 · 环境工程 · 电化学
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2025 · IF 8.3

Hierarchical charge transfer pathways in MoC/MoS2 cocatalysts for enhanced CdS photocatalytic hydrogen evolution

Hongjie Yao,Yufen Liu,Siyuan Yang,Xin Cai,Qiongzhi Gao,Xiaosong Zhou,Xin Li,Shengsen Zhang

Efficient photocatalytic hydrogen evolution is often hindered by sluggish charge transfer within the catalyst and slow interfacial reaction kinetics. Herein, we construct a highly active and durable ternary MoC/MoS 2 /CdS (MMS) photocatalyst by precisely tailoring the MoC/MoS 2 cocatalyst composition and architecture through in-situ vulcanization. The optimized MMS composite delivers a remarkable hydrogen evolution rate of 38.3 mmol g −1  h −1 under simulated solar irradiation, outperforming MoC/CdS and MoS 2 /CdS by factors of 3.4 and 1.8, respectively. Mechanistic studies reveal that MoC acts as an efficient electron reservoir and, together with MoS 2 , constructs a hierarchical charge transfer network, boosting photogenerated electron separation efficiency by 2.7-fold. Moreover, the conductive MoC framework synergizes with the edge active sites of MoS 2 , significantly reducing the overpotential for hydrogen evolution. Density functional theory calculations further demonstrate that the strong interfacial electronic coupling between MoC(110) and MoS 2 (002) facets induces charge redistribution, yielding a low-barrier transfer pathway and optimizing the hydrogen adsorption free energy (ΔG H*  = −0.12 eV). This work provides new mechanistic insights and a design strategy for developing high-performance metal sulfide–based synergistic cocatalyst systems.

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INORGANIC CHEMISTRY · 2025 · IF 4.7

Synergistic Microstructure-driven Polarization and Conductive Loss in 3D Chrysanthemum-like MoC@NiCo LDH Composite for Ultra-high Microwave Absorption Performance

Jiyuan Xiao,Jiatian Li,Shuai Yang,Mengjie Liu,Song Xue,Xiaofeng Liu,Miao Yu,Lili Li,Jisheng Wang,Bo Wen,Guorui Yang,Shujiang Ding

The development of efficient electromagnetic wave (EMW) absorbing materials relies on rational microstructures and loss mechanisms. This study innovatively proposes a design strategy based on micronano structural regulation─heterogeneous interface construction─synergistic loss optimization and fabricates a MoC@NiCo layered double hydroxide (LDH) composite material with a 3D chrysanthemum-like morphology. The petal-like microstructure enhances the multiple reflection and scattering effects of the incident EMWs, while heterogeneous interfaces further stimulate interface polarization. Meanwhile, density functional theory (DFT) guides the regulation of polarization and conduction loss synergy for efficient EMW energy attenuation. Experimental results show that the composite material, with a thickness of only 2.4 mm, has a minimum reflection loss (RLmin) of −57.9 dB, and an maximum effective absorption bandwidth (EABmax) covering 5.4 GHz, encompassing the entire C, X, and Ku frequency bands. Radar cross-sectional (RCS) testing further verifies the potential of the material to effectively attenuate EMWs in practical applications. This study provides theoretical basis and method guidance for the efficient design of absorbing materials through the synergistic regulation of polarization loss and conductivity loss and lays a theoretical foundation for the further design of EMW absorbing materials that meet more stringent practical application requirements.

研究领域: 材料科学 · 电磁学
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Journal of Materials Chemistry A · 2024 · IF 10.7

Interfacial modulation of Ru catalysts using B, N co-doped porous carbon-confined MoC quantum dots for enhanced hydrogen evolution reaction performance

Shumin Xie,Mang Niu,Xingyun Li,Yang Lei,Huanfang Zhang,Shuai Xu,Deyu Wang,Sameh M. Osman,Zhi Peng,Yusuke Yamauchi

The development of high-performance electrocatalysts that rival Pt catalysts is crucial for efficiently driving the hydrogen evolution reaction (HER) to produce H2. Herein, we engineer sophisticated interfacial modulation of the Ru catalysts by constructing B, N co-doped porous carbon confined ultra-small MoC quantum dots (MoC@BNC) as an advanced catalyst carrier and stimulator. Combined experimental and theoretical calculations prove enhanced electron interaction between the Ru catalysts and the MoC quantum dots. Additionally, the B, N co-doped carbon substrate further refines the electronic structure of MoC, reinforcing the modulation of Ru catalysts. The Ru/MoC@BNC catalyst embodies a boosted H2O dissociation ability with a lowered H bonding strength, which promises an outstanding HER performance with an overpotential of 14 mV at 10 mA cm−2 in an alkaline solvent. Furthermore, robust catalytic stability is achieved with almost zero deterioration after the cycling test. This result exemplifies the importance of interfacial manipulation of the Ru catalysts to promote HER catalytic performance.

CAS / MDL: 10043-35-3
研究领域: 材料科学 · 催化化学 · 能源科学
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Sustainable Energy & Fuels · 2019 ·Vol. 4 ·期 1 ·407-416 · IF 4.912

MoC based Mott–Schottky electrocatalyst for boosting the hydrogen evolution reaction performance

Xinyang Ji,Kaixuan Wang,Yao Zhang,Haohao Sun,Yuanyuan Zhang,Tiange Ma,Zhuo Ma,PingAn Hu,Yunfeng Qiu

Searching for promising HER electrocatalysts is an urgent task for the practical application of hydrogen production by water electrolysis. The Mott–Schottky effect between a metal with larger work function and n-type semiconductor with a higher Fermi level will facilitate the electron transfer from the semiconductor toward the metal. As a result, it is possible to design optimal H* adsorption active sites with thermoneutral hydrogen adsorption free energy (ΔGH*). Herein, MoC nanoparticles with a diameter of about 3.4 nm embedded in N, P-codoped carbon were converted from well-defined polyoxometalates (around 1 nm) and polypyrrole nanocomposites by carbonization and further wrapped on the surface of CNTs. On the basis of improved electron transfer rate, increased carrier densities, and enhanced active site activities on MoC after lowering the work function due to the Mott–Schottky effect with n-type domains in N, P-codoped carbon, our electrocatalysts could drive the current density of 10 mA cm−2 at 175 mV with a Tafel slope of 62 mV dec−1 and TOF value of 1.49 s−1 at 150 mV, as well as long-term H2 production stability. The present study provides a new guideline for the design and preparation of Mott–Schottky HER electrocatalysts.

CAS / MDL: 109-97-7
研究领域: 材料科学 · 电化学 · 催化 · 可再生能源
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ELECTROCHIMICA ACTA · 2019 · IF 5.383

3D multiporous Co,N co-doped MoO2/MoC nanorods hybrids as improved electrode materials for highly sensitive simultaneous determination of acetaminophen and 4-aminophenol

Yuanyuan Dong,Min Zhou,Lei Zhang

3D multiporous Co, N co-doped MoO 2 /MoC (3D Co,N-MoO 2 /MoC) nanorods hybrids were successfully synthesized via carburizing core-shell ZIF-67-cladded MoO 3 nanorods precursor at high temperature. As-fabricated Co,N-MoO 2 /MoC nanorods coated glassy carbon electrodes (GCE) was demonstrated to possess superior electrocatalytic activity for the electro-oxidation of acetaminophen (AC) and 4-aminophenol (4-AP). Such excellent electrochemical performance was largely attributed to the synergistic effect of the unique multiporous structure, the optimal component and abundant active sites of the nanorods. The corresponding electrode reaction mechanisms were studied in detail in this article. Under optimal conditions, the linear detection ranges were 0.05–200.0 μmol/L for AC and 0.05–140.0 μmol/L for 4-AP, respectively, with the low detection limits of 0.013 μmol/L and 0.012 μmol/L. Furthermore, the 3D Co,N-MoO 2 /MoC/GCE revealed excellent sensitivity, good reproducibility, stability and anti-interference ability. The developed electrode was evaluated towards the detecting AC and 4-AP in biological fluids, environment water and pharmaceutical formulations with satisfactory recovery, which had a broad application prospect.

CAS / MDL: 504-24-5 693-98-1
研究领域: 材料科学 · 分析化学 · 电化学
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APPLIED SURFACE SCIENCE · 2023 · IF 6.7

In-situ construction of MoC quantum dots embedded in n-doped 2D nanocarbon as a multifunctional host for high-performance lithium sulfide cathode

Sheng Liang,Yiwei Zhang,Kunhong Hu,Miaoxin Chen,Ningning Zhou,Lei Hu,Yaxiong Yang,Lili Wang,Xin Liang,Yanxia Liu,Chu Liang,Hongge Pan

Lithium–ion batteries using Li 2 S cathode are considered as an optimal alternative for current lithium–ion batteries since their high theoretical capacity (1166 mAh/g) and high energy density (2600 W h kg −1 ). However, low electronic/ionic conductivity, severe lithium polysulfides (LiPSs) shuttle, and sluggish electrochemical reaction kinetics are the three major challenges for the practical application of Li 2 S. Herein, we report a multifunctional host of MoC quantum dots embedded in N–doped 2D nanocarbon (MoC@2D–NNC) with high electronic/ionic conductivity, strong LiPSs capture ability and superior electrochemistry catalytic activation for Li 2 S electrode. Nano Li 2 S is successfully entered into the MoC@2D–NNC to form MoC@2D–NNC/Li 2 S composite via facile liquid–phase dissolution precipitation. The obtained MoC@2D–NNC/Li 2 S composite displays a high electronic conductivity of 0.1624 S cm −1 , high initial discharge capacity of 1059 mAh/g, and long–term cycling performance over 1000 cycles. This reported MoC@2D–NNC/Li 2 S composite exhibits promising applications in advanced Li–S batteries.

研究领域: 材料科学 · 能源存储与转换
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ACS Applied Materials & Interfaces · 2021 · IF 9.229

Integration of Ni Doping and a Mo2C/MoC Heterojunction for Hydrogen Evolution in Acidic and Alkaline Conditions

Changhai Liu,Lei Sun,Linlin Luo,Wenchang Wang,Huilong Dong,Zhidong Chen

Although nonprecious metal catalysts based on earth-abundant 3d transition metals (TMs) are regarded as promising substitutes for a noble metal electrocatalytic hydrogen evolution reaction (HER), their large-scale application is still inhibited by their inadequate activity and durability. Here, a facile method for nonprecious metal catalysts has been developed to prepare molybdenum carbide on nitrogen-doped carbon. By optimizing the Ni doping ratio, the Ni0.5@MoCx/NC exhibits the lowest overpotential for 10 mA cm–2 and superior stability in both acidic and alkaline media for HER application, outperforming most of the reported HER electrocatalysts. In addition, a theoretical simulation has also confirmed the possible mechanism for the synergistic effect with the regulative adsorption energy of hydrogen species with Ni doping and formation of a Mo2C/MoC heterojunction in the Ni0.5@MoCx/NC electrocatalyst. Therefore, this work provides a new avenue for designing two-dimensional nanostructures with an optimized electronic structure for promising TM HER electrocatalysts in a wide pH range.

研究领域: 电化学 · 材料科学 · 催化 · 能源材料
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