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α-MoC1-x
Catalysis Science & Technology · 2022 ·Vol. 12 ·期 21 ·6384-6397 · IF 6.177

Quantum effect and Mo–N surface bonding states of α-MoC1−x modified carbon nitride for boosting photocatalytic performance

Zhi Zhu,Reeti Kumar,Liwen Luo,Sunita Varjani,Pengwei Huo,Jonathan Woon-Chung Wong,Jun Zhao

Photocatalytic degradation of pharmaceuticals in the aquatic environment is considered a promising strategy to address water pollution. In this study, a novel photocatalyst was constructed by decorating g-C3N4 (CN) with α-MoC1−x quantum dots (α-MoC1−x-QDs) through a facile calcination method. The catalyst showed enhanced tetracycline (TC) degradation performance under visible light. The unique Mo–N surface bonding states and quantum effect leading to superior TC degradation activity (89.1%) compared to pure CN (21.8%) were reported and revealed. More importantly, the mechanism for the significant enhancement of photocatalytic activity of the catalyst was investigated by DFT (density functional theory) calculations and photo-electrochemistry measurements. The results confirmed that the effect of α-MoC1−x-QDs on CN improved the light absorption capacity obviously, and the Mo–N surface bonding states accelerated the charge migration from CN to α-MoC1−x-QDs. Moreover, the TC degradation pathway, intermediates and photogenerated carrier transfer behaviors were also discussed in depth. This research provides a new strategy for the construction of noble-metal-free co-catalyst/semiconductor composite materials in the photocatalytic degradation of antibiotics.

研究领域: 环境科学 · 材料科学 · 化学
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ACS Catalysis · 2025 · IF 13.1

Harnessing Hydrogen Spillover by Lattice Strain for Enhanced Photocatalytic Hydrogen Evolution of ZnIn2S4

Fan Gao,Wen-Gang Cui,Xinqiang Wang,Zhenglong Li,Yongchang Chen,Zichao Shen,Ke Wang,Yong Gao,Jian Miao,Yaxiong Yang,Jian Chen,Shaohua Shen,Hongge Pan

Hydrogen spillover has been believed to play an essential role in the reaction path in photocatalysis, yet its rational regulation remains a considerable challenge for the design of highly efficient photocatalysts. Herein, hydrogen spillover can be well regulated at ZnIn2S4 with surface decorated by cubic α-MoC1–x quantum dots (QDs) with different lattice strain (ZIS/QDs). With the increasing lattice strain of α-MoC1–x, the composite shows first increased and then decreased photocatalytic hydrogen evolution (PHE). Spectroscopic characterizations and calculation analysis indicate that PHE performance of ZIS/QDs is highly corelated with hydrogen spillover rather than charge transfer process. Further systematic investigations suggest that compressive lattice strain uplifts the Fermi level of α-MoC1–x and optimizes the interfacial spillover barrier between α-MoC1–x and ZnIn2S4, achieving well-manipulated hydrogen spillover and enhanced PHE performance. This work demonstrates a general design from the perspective of lattice strain to harness hydrogen spillover effect in heterogeneous interface for hydrogen generation.

CAS / MDL: 31175-20-9
研究领域: 材料科学 · 催化化学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2019 · IF 14.229

Structure and phase regulation in MoxC (α-MoC1-x/β-Mo2C) to enhance hydrogen evolution

Xiangyong Zhang,Junchao Wang,Ting Guo,Tianying Liu,Zhuangzhi Wu,Luigi Cavallo,Zhen Cao,Dezhi Wang

Non-precious metal-based efficient electrocatalysts with superior activity and stability for the hydrogen evolution reaction (HER) are useful in solving energy and environmental crises. Herein, monodisperse inverse opal-like Mo x C (α-MoC 1-x /β-Mo 2 C) nanospheres were synthesized via a facile strategy to adjust the intrinsic activity and maximize the exposed active sites. In particular, the Mo x C-0.4 with the optimal composition of α-MoC 1-x /β-Mo 2 C (0.56/0.44) demonstrated a superior HER performance in 0.5 M H 2 SO 4 with a small Tafel slope of 48 mV dec −1 and remarkable stability. Such prominent performance not only benefits from the inverse opal-like structure that provides more active sites for HER, but also should be ascribed to the strong synergistic effect between α-MoC 1-x and β-Mo 2 C. Based on theoretical calculations, it is further verified that the synergistic effect of Mo x C-0.4 is originated from the optimization of interaction with the H* induced by the heterostructure. Furthermore, this work will broaden our vision for highly efficient hydrogen production by bridging the microscopic structure with macroscopic catalytic performance.

研究领域: 材料科学 · 能源科学 · 催化化学
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NANOTECHNOLOGY · 2019 ·Vol. 31 ·期 10 ·105707 · IF 3.399

Boron triggers the phase transformation of MoxC (α-MoC1−x/β-Mo2C) for enhanced hydrogen production

Zijian Chen,Ting Guo,Zhuangzhi Wu,Dezhi Wang

As highly efficient non-precious metal-based catalysts for the hydrogen evolution reaction (HER), molybdenum carbides have attracted much attention over the phase and structure modification for the improvement of HER performances. In this work, a novel strategy is proposed to modulate phases of molybdenum carbides by boron doping, so that the HER performances can be well controlled. After B-doping, the HER activity of the as-prepared B30 catalyst is significantly enhanced with a much smaller Tafel slope of 78 mV dec−1 than that of the blank one (134 mV dec−1), which originates from the increased amount of active sites, enhanced turnover frequency of each active site and reduced electron transfer resistance. Moreover, this work could broaden our view of phase regulation and provide more possible perspectives for the application in other fields.

CAS / MDL: 62-31-7
研究领域: 材料科学 · 化学工程 · 能源科学
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DIAMOND AND RELATED MATERIALS · 2023 · IF 4.1

Hierarchical α-MoC1-x@N-doped carbon nanospheres as counter electrodes for dye-sensitized solar cells

Hui Zhao,Feifei Nie,Shuhui Liu,Yuanhao Li,Kezhong Wu,Mingxing Wu

Molybdenum-based carbides , as one of the representatives of transition metal compounds, are a promising alternative to the expensive and resource constrained Pt-based counter electrode (CE) in dye-sensitized solar cells (DSSCs). Herein, a series of hierarchical α-MoC 1- x @N-doped carbon (MDNC) composites are transformed from the step-by-step pyrolysis of uniformly Mo-based compounds and dopamine precursors at the temperatures of 650, 750, 850, and 950 °C under N 2 atmosphere, respectively. The MDNC precursors were synthesized by a simple one-step self-polymerization in a water-in-oil system. And then, the obtained MDNC nanocrystalline composites can accelerate electron conduction and improve the electrocatalytic property of the tri-iodide reduction reaction (IRR) owing to the C carrier obtained through the pyrolysis process and the N-doped of α-MoC 1- x by the carbonization of dopamine and the high temperature nitrogen atmosphere. In addition, the distinct hierarchical structure of MDNC with well-developed porosity and high specific surface area can expose numerous active catalytic sites. The DSSCs using the MDNC series as CEs for I 3 − /I − exhibit power conversion efficiencies (PCE) of 5.99 %, 6.35 %, 6.57 % and 5.57 %, respectively, which were versus 5.83 % of Pt CE.

研究领域: 材料科学 · 能源科学
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2025 · IF 3.9

Engineering α-MoC1–x through Gradient Si/Al Ratios of Zeolite Supports for Efficient Water–Gas Shift Reaction

Wenting Zhou,Yongkang Huang,Xiaofeng Gao,Zixuan Ma,Ziyu Song,Lili Lin,Ding Ma,Siyu Yao

Pt/α-MoC catalysts, synthesized by supporting platinum on α-phase molybdenum carbide (α-MoC), have emerged as promising candidates for the low-temperature water–gas shift reaction (WGSR) due to their high catalytic activity. However, their performance is often limited by insufficient density of active Pt–Mo interfacial sites and inadequate stability under reaction conditions. In this study, a ternary Pt/α-MoC/MFI catalyst was constructed by incorporating MFI-type zeolites with varying Si/Al ratios as a support component. Comprehensive characterization revealed that modulating the Si/Al ratio of the zeolite support alters the carburization process, with silica-rich supports promoting the formation of a more optimal molybdenum carbide structure and effectively suppressing carbon deposition during reaction. In addition, the use of high-silica supports increased the number of active Pt–Mo interfacial sites and enhanced key steps such as water dissociation and –OH group conversion. Consequently, the Pt/α-MoC/S-1 catalyst─synthesized using purely siliceous S-1 zeolite as the support─exhibited the highest intrinsic activity of 7.4 molCO/molPt/s at 523 K, outperforming all other zeolite-supported Pt/α-MoC catalysts as well as the bulk Pt/α-MoC catalyst.

研究领域: 催化化学 · 材料科学 · 化学工程 · 多相催化 · 能量转换
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2019 · IF 3.375

Synthesis-Controlled α- and β-Molybdenum Carbide for Base-Promoted Transfer Hydrogenation of Lignin to Aromatic Monomers in Ethanol

Kejing Wu,Chunyan Yang,Yingming Zhu,Junbo Wang,Xueting Wang,Changjun Liu,Yingying Liu,Houfang Lu,Bin Liang,Yongdan Li

Molybdenum carbide catalysts over activated carbon with different crystal phases were synthesized under controllable carburization atmospheres and temperatures for transfer hydrogenation of Kraft lignin in ethanol to aromatic monomers. Single α-MoC1–x and crystal transformation of α-MoC1–x to β-Mo2C are observed under a CH4/H2 mixture and H2 carburization atmospheres, respectively. The mixed crystal phases of α-MoC1–x and β-Mo2C with different crystallinities under a N2 carburization atmosphere exhibit higher activity with a maximum aromatic yield of 0.5163 g/g Kraft lignin when carburized at 700 °C. The dehydrogenation reaction and Kraft lignin hydrogenation are proposed to explain the synergistic effect of β-Mo2C, base, and α-MoC1–x for the base-promoted transfer hydrogenation process in ethanol, which is confirmed by in situ Fourier transform infrared analysis. This highly efficient process is suitable for the conversion of different lignin feedstock.

研究领域: 化学工程 · 催化 · 可再生能源 · 绿色化学
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