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ADVANCED FUNCTIONAL MATERIALS · 2025 · IF 19

Competitive Anchoring of Mo Atoms Induces Pt Atoms Agglomeration and Enhanced Electronic Effects: Elevated Activity and Selectivity for Carbon Disulfide Hydrogenation

Yuxuan Xie,Xinyu Yang,Zhao Li,Ziruo Zeng,Shuangyou Bao,Xin Sun,Yixing Ma,Kunlin Li,Chi Wang,Fei Wang,Ping Ning,Kai Li

High-electron-density Pt 0 nanoparticles (NPs) with excellent hydrogen activation and spillover capacity offer unique advantages in volatile organic sulfur selective hydrogenation reactions. Taking advantage of the more preferential and effective anchoring of Mo atoms at the γ-Al 2 O 3 terminal hydroxyl (OH) groups and its electron modification role, competitive anchoring is induced by a simple co-impregnation synthesis method to promote the agglomeration of low-loading Pt atoms into high concentrations of electron-rich and enlarged Pt NPs, which resulted in a substantial increase in the active centers for hydrogen dissociation. The Mo doping amount with the best Pt aggregation efficiency is 3 wt.%, and the hydrogen spillover efficiency of 1Pt3Mocom/Al catalyst is significantly higher than that of 1Pt/Al catalyst, which efficiently convert carbon disulfide (CS 2 ) (95%–100%) while maintaining a methanethiol (CH 3 SH) selectivity of 85% at 250 °C or a methane (CH 4 ) selectivity of 92% at 310 °C in the 24 h long-term test. In situ DRIFTS revealed that the improved catalyst performance is due to the elevated capacity to generate the intermediates HCSS * , CH 2 S * , and CH 3 S * . The 1Pt3Mocom/Al catalyst synthesized by competitive anchoring strategy greatly reduces the Pt consumption and is instructive for the exploitation of low-cost Pt NPs active centers.

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APPLIED CATALYSIS B-ENVIRONMENTAL · 2020 · IF 16.683

Anchoring Mo single atoms/clusters and N on edge-rich nanoporous holey graphene as bifunctional air electrode in Zn−air batteries

Peng Du,Kailong Hu,Juan Lyu,Huanglong Li,Xi Lin,Guoqiang Xie,Xingjun Liu,Yoshikazu Ito,Hua-Jun Qiu

Materials co-design of the single-atom catalytic centers and the supports can push the limits of the emerging wearable metal-air batteries. The metal single-atom catalysts are required to be bifunctional with high efficient electrocatalytic activities for both oxygen reduction and evolution reactions (ORR and OER), and preferably non-noble. The supports, on the other hand, in addition to the requirements of being free-standing, flexible and porous, are required to strongly interact with the metal species to prevent their aggregation. However, satisfying these requirements simultaneously is yet challenging. Here, a free-standing 3D nanoporous holey graphene with both N and single-atom Mo dopants is prepared. The nanoholes are created by chemical vapor deposition method on nanoporous NiMo alloy templates with their surface decorated with catalytically inert SiO 2 nanoparticles . The edge-rich graphene induced by the nanoholes facilitates the doping of pyridinic N and single-atom Mo in the fringe near the edges. The resulting N and Mo co-doped nanoporous holey graphene exhibits high bifunctional ORR and OER catalytic activities in alkaline electrolytes. The synergetic effects between N and Mo dopants are also revealed by density functional theory calculations. When incorporated in a solid-state zinc-air battery, the battery is bendable and can be continuously discharged/charged for 88 h with a high power density of 83 mW cm −2 . This work provides an efficient route to design metal single atom/cluster doped 3D freestanding nanoporous graphene as flexible electrodes.

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Materials Today Communications · 2023 · IF 3.8

Effects of oxygen vacancies on electric properties of high valence ions Mo/Zr/Ti doped Bi0.85Nd0.15FeO3 ceramics with morphotropic phase boundary

Jingxin Tian,Hongjun Zhang,Liwei Zhang,Dongliang Wang,Yong Huang,Elena Balashova,Boris Krichevtsov,Hua Ke

The effects of oxygen vacancies on electric properties of high valence ions (Mo/Zr/Ti) doped Bi 0.85 Nd 0.15 FeO 3 (marked as BNFM, BNFZ, BNFT) ceramics with morphotropic phase boundary (MPB) are investigated. MPB structures consisting of rhombohedral, intermediate and orthorhombic phases exist in all samples, which is confirmed by the XRD Rietveld refinements and TEM analyses. The BNFT has the maximum remnant polarization of 34.5 μC/cm 2 at 180 kV/cm, owing to its lowest paraelectric orthorhombic phase content. XPS and impedance results reveal that the BNFT ceramic has the relatively low oxygen vacancy contents and the largest impedance value, which is beneficial for the ferroelectric test. The best comprehensive properties of BNFT open wide prospects for improving BiFeO 3 -based ceramics.

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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

Suppressing interlayer-gliding and Jahn-Teller effect in P2-type layered manganese oxide cathode via Mo doping for sodium-ion batteries

Lin Zhang,Chenchen Wang,Yanchen Liu,Meng Ren,Juan Du,Aibing Chen,Fujun Li

Manganese-based layered oxides are one of the most promising cathode materials for sodium-ion batteries (SIBs) due to their high specific capacity and low cost of manganese and sodium. However, they are limited by the poor cycling stability caused by irreversible phase transitions and Jahn-Teller effect of Mn 3+ . Herein, Mo-doped P2-Na 0.67 Mn 1-x Mo x O 2 suppress the irreversible phase transition of P2-OP4 resulted from gliding of MnO 2 -slabs. It reveals that no phase transition occurs under high voltage via Mo elements doping into MnO 6 -layers. P2-Na 0.67 Mn 1-x Mo x O 2 displays high cyclic stability with a high capacity retention of 86.4% after 100 cycles and improved rate performance with an average working voltage of 2.61 V. The research provides a new perspective for designing novel layered oxide cathodes design toward high-performance SIBs.

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JOURNAL OF MOLECULAR LIQUIDS · 2022 · IF 6.633

Fabrication of Zn-Ti layered double oxide nanosheets with ZnO/ZnTiO3 heterojunction for enhanced photocatalytic degradation of MO, RhB and MB

Quan Chen,Lunan Wu,Xiaoli Zhao,Xiu-Jie Yang

Zn-Ti layered double oxide (LDO) nanosheets were synthesized by a simple co-precipitation-calcination process for the enhanced photocatalytic degradation of methyl orange (MO), rhodamine B (RhB) and methylene blue (MB). ZnTi-LDOs nanosheets present higher photocatalytic efficiency for MO, RhB and MB removal, which is 5.4, 4.4 and 6.7 times of that of Zn-Ti layered double hydroxide (LDH), respectively. The photocatalytic activity of synthesized ZnTi-LDOs is greatly affected by the mole ratio of Zn/Ti, calcination temperature and pH value. It is found that the formation of ZnO/ZnTiO 3 heterojunction in ZnTi-LDOs could effectively accelerate the rapid separation of charge carriers, and thus enhance the photocatalytic activity via enlarging the photoresponse range. The possible charge transfer mechanism for photocatalytic degradation of organic dyes by ZnTi-LDOs was proposed based on the active species test and UV–Vis diffuse reflectance spectra. The results of active species trapping experiments showed that ‧OH, ‧O 2 − , h + , e − all had effect on the degradation of RhB , and ‧OH played a major role. This study provides a new insight for the photocatalytic degradation of organic pollutants from wastewater by ZnTi-LDOs.

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Catalysis Science & Technology · 2025 · IF 4.2

Importance of surface peroxo species in the epoxidation of cyclohexene by Mo-doped TS-1 and O2 under solvent-free conditions

Yu-Le Wang,Songhai Wu,Yu-Zhen Xu,Yu-Dong Shan,Yong Liu,Xu Han

The selective oxidation of cyclohexene (Cy) to cyclohexene oxide (Cy-ep) using O2 remains challenging due to low epoxidation selectivity. In this work, a series of Mo-doped TS-1 (Mo-TS-1) catalysts were successfully synthesized for the epoxidation of Cy under solvent- and initiator-free conditions with O2 as the oxidant. Among them, 5Mo-TS-1 exhibited high catalytic performance, achieving 43.5% Cy conversion and 50.6% selectivity toward Cy-ep. Additionally, valuable byproducts such as 2-cyclohexen-1-ol (Cy-ol) and 2-cyclohexen-1-one (Cy-one) were obtained with yields of 28.0% and 21.4%, respectively. Since both Cy-ol and Cy-one are valuable intermediates in fragrance synthesis, over 43.5% of Cy was effectively converted into high-value products. Quenching experiments and Raman spectroscopy revealed that surface oxygen vacancies (Ov) facilitate the activation of O2 to form ≡Ov‑superoxo species, which abstract hydrogen from the allylic C-H bond of Cy to generate 3-cyclohexenyl radicals (Cy•). These radicals subsequently react with O2 to form Cy-OO•, followed by hydrogen abstraction from another Cy molecule to yield 2-cyclohexene-1-hydroperoxide (Cy-OOH). A positive correlation between Cy-OOH and Cy-ep formation underscores the critical role of Cy-OOH in the epoxidation process. Furthermore, Raman spectroscopy confirmed the presence of ≡Mo-(η2-O2) peroxo species on the catalyst surface, which preferentially attack the C=C bond of Cy to form Cy-ep. DFT calculations elucidated two distinct O2 activation pathways: In Pathway I, O2 is activated at Ov sites to form ≡Ov‑superoxo, which subsequently reacts with Cy to generate ≡Ov‑peroxo, Cy-OOH, and Cy•. In Pathway II, Mo(V/VI) sites either directly activate O2 or react with peroxo intermediates (≡Ov‑peroxo or Cy-OOH) to form ≡Mo-(η2-O2). This species selectively epoxidizes the alkene bond in Cy to Cy-ep. Notably, the direct activation of O2 at Mo(V/VI) sites bypasses the allylic oxidation route, thereby enhancing the epoxidation selectivity beyond the theoretical limit of 50.0%. This study provides new insight on the importance of surface superoxo and peroxo mediated by Ov and Mo(V/VI) in the epoxidation processes.

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2025 · IF 8.3

Efficient photocatalytic overall water splitting is achieved by the Mo doped ZnIn2S4/Bi4NbO8Cl Z-scheme heterojunction catalyst with full-spectrum response

Yutong Chen,Rong Wu,Jianyong Yue,Dezheng Kong,Chen Zhang,Shunhang Wei

Photocatalytic overall water splitting (POWS) is an efficient technology that converts solar energy into H 2 energy, holding significant importance in the realms of energy and the environment. As a visible-light photocatalyst, ZnIn 2 S 4 , despite being an ideal low-dimensional semiconductor for photocatalytic overall water splitting, has its performance therein affected by poor charge separation. The present study reports the successful synthesis of a novel Bi 4 NbO 8 Cl/ZnIn 2 S 4 :Mo Z-scheme heterojunction via a hydrothermal method. Under AM 1.5G irradiation, the POWS H 2 evolution rate was measured at 84.8 μmol g −1  h −1 , while the O 2 evolution rate was determined to be 47.0 μmol g −1  h −1 . Under simulated solar light irradiation, Bi 4 NbO 8 Cl/ZnIn 2 S 4 :Mo heterojunction exhibits an apparent quantum efficiency (AQE) of 0.22 % at 420 ± 20 nm and a solar-to-hydrogen (STH) conversion efficiency of 0.026 %. UV–Vis–NIR spectroscopic analysis unequivocally demonstrated a significant enhancement in the utilization efficiency of the Bi 4 NbO 8 Cl/ZnIn 2 S 4 :Mo Z-scheme heterojunction in the near-infrared light region compared to the pristine ZnIn 2 S 4 and Bi 4 NbO 8 Cl. This improvement extends the spectral absorption boundary of the photocatalyst, allowing efficient capture of a considerable proportion of low-energy photons in sunlight. Unique charge transfer mechanism of Z-scheme heterojunction was revealed by in-situ XPS and EPR tests. Z-scheme heterojunction effectively promoted the respective enrichment of electrons and holes generated by photo-excitation in ZnIn 2 S 4 :Mo and Bi 4 NbO 8 Cl, thereby improving the performance of POWS. This study not only establishes an experimental foundation for the design and construction of Z-scheme heterojunctions but also explores a new approach to augment the utilization efficiency of the near-infrared solar spectrum.

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TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA · 2022 · IF 3.752

Effects of various rare earth oxides on morphology and size of oxide dispersion strengthening (ODS)-W and ODS-Mo alloy powders

He ZHANG,Zhi-bo LI,Xiao-chun DENG,Ben CHEN,Guo-hua ZHANG,Kuo-Chih CHOU

Ultrafine oxide dispersion strengthening (ODS)-Mo and ODS-W alloy powders containing different types of oxide nanoparticles were successfully synthesized by spraying method (solid−liquid mixing method) combined with the reductions with carbon black and hydrogen in sequence. It is concluded that the solution concentration and type of rare earth oxide have no effect on the grain size of ODS-Mo alloy powder, but have obvious effect on that of ODS-W alloy powder. The higher the concentration of rare earth solution is, the smaller the average grain size of ODS-W alloy powder is. Furthermore, compared with doping with CeO 2 , the grain sizes of reduction products of La 2 O 3 and Y 2 O 3 doped WO 3 are relatively larger. Compared with the undoped case, there is almost no change for grain size of ODS-Mo alloy powder, while the grain size of ODS-W alloy powder becomes much larger. This is probably due to the appearance of the composite oxide (such as La 2 WO 6 ) formed by the reaction between tungsten oxide and rare earth oxides, which promotes the heterogeneous nucleation and growth of tungsten grains during the reduction process of ODS-W, while there is no complex oxide composed of molybdenum and rare earth oxides in the reduction process of ODS-Mo.

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JOURNAL OF ALLOYS AND COMPOUNDS · 2022 · IF 6.371

Mo or W doping into the surface of BiVO4 film photoanodes through a photoelectrochemical treating approach for efficient solar water oxidation

Gaili Ke,Feng Duan,Binyao Liu,Xiaotian Liu,Jinyu Wen,Bi Jia,Xiaoyan Liu,Huichao He,Yong Zhou

In theory, suitable metal ions doping into the surface of BiVO 4 photoanodes could improve its water oxidation performance effectively. But the common homogeneous reaction strategy is not well applicable for the preparation of BiVO 4 film photoanodes with metal ions surface doping. Herein, a photoelectrochemical treating approach was reported to prepare BiVO 4 films with W or Mo surface doping in saturated tungstate and molybdate-containing electrolyte, respectively. The doping of W or Mo into the surface of BiVO 4 film was attributed to the following reactions. Firstly, the photocorrosion of BiVO 4 film photoelectrodes resulted in the dissolution of VO 4 3+ from BiVO 4 lattice under AM 1.5 G illumination. Then, the WO 4 2+ or MoO 4 2+ in the saturated electrolyte entered and occupied the dissolved sites of VO 4 3+ on BiVO 4 surface through ions exchange reaction . Due to the lower radiative recombination of carrier as well as higher electrocatalytic water oxidation activity, the resultant W or Mo doped BiVO 4 films as photoanodes showed better solar water oxidation activity, kinetics and stability, although their light harvesting property and morphological feature were close to the pristine BiVO 4 film photoanode. The present work provides a new and effective approach for the achievement of metal ions doping into the surface of BiVO 4 photoanodes, which could inspire the preparation of similar photoanode materials.

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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2022 · IF 5.518

Surfactant-assisted synthesis of Mo-doped TiO2/FAC (fly ash cenosphere) for degradation of methylene blue dye under visible light irradiation

Guanghui Li,Changye Mang,Lang Xing,Pengxu Cao,Yongfeng Cai,Jun Luo,Hao Jiang

Methylene blue (MB) is extensively used in the textile industry; meanwhile, it is also one of carcinogenic and mutagenic pollutants. The removal of MB from wastewater by photocatalytic decomposition under visible light irradiation is a very important method. In this work, a photocatalyst of Mo-doped TiO 2 coated on fly ash cenosphere (CTAB-Mo-TiO 2 /FAC) was prepared by a sol-gel method and modified by hexadecyl trimethyl ammonium bromide (CTAB). Compared to TiO 2 /FAC and Mo-TiO 2 /FAC (without CTAB), it was featured by low bandgap and strong light absorption ability. More importantly, the light absorption range broadened from 200 to 400 nm to 200–800 nm, which could absorb visible light . Besides, after adding CTAB, the Mo 6+ could more easily dope into the TiO 2 lattice and cause crystal distortion, which exposed more oxygen vacancies . Oxygen vacancies could generate abundant reactive radicals to enhance the photocatalytic activity . At CTAB-Mo-TiO 2 /FAC dosage of 2 g/L, 99.75% of MB was removed in an initial MB concentration of 0.03 mmol/L with a pH of 7.0 under visible light irradiation of 60 min, whereas that of Mo-TiO 2 /FAC and TiO 2 /FAC was only 42 % and 24 %, respectively. The photodynamic parameter of CTAB-Mo-TiO 2 /FAC (0.066 min −1 ) is about 3 times of Mo-TiO 2 /FAC (0.023 min −1 ), 8.3 times of TiO 2 /FAC (0.008 min −1 ).

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ACS Applied Energy Materials · 2024 · IF 5.4

In Situ Synthesis of Mo and Ti-Dual Oxide-Incorporated Mo2Ti2C3Tx MXene Electrode Using a Lewis Acid-Assisted Method for Pseudocapacitors

Dayakar Gandla,Yun’an Zhou,Yihao Yan,Yifan Niu,Fuming Zhang,Daniel Q. Tan

MXenes, a class of two-dimensional transition metal carbides and nitrides, hold great promise for electrochemical energy storage applications due to their exceptional electronic conductivity, tunable surface chemistry, and pseudocapacitive charge storage mechanisms. This study introduces a one-step approach to deposit Mo and Ti-dual oxide nanoparticles in situ onto Mo2Ti2C3Tx MXene using the Lewis acid molten salt method (LAMS), meticulously optimizing annealing conditions. The incorporation of Mo and Ti dual oxide nanoparticles improves the pristine Mo2Ti2C3Tx MXene by preventing collapse of the layered structure and restacking of MXene sheets. Both three-electrode and coin cell devices are assessed in an aqueous electrolyte, illustrating the favorable role of the nanoparticles acting as spacers. Remarkable outcomes include a specific capacity of 434 C g–1 at 5 mA cm–2, exceptional capacity retention of 94% after 5000 charge–discharge cycles at 50 mA cm–2, and a high gravimetric energy density of 52.5 W h kg–1 at a power density of 1442 W kg–1 in an aqueous 3 M KOH electrolyte. This research underscores the potential of double transition metal MXenes as energy storage electrodes and an eco-friendly mass synthesis route, contributing to sustainable advancements in energy storage technology.

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Sustainable Energy & Fuels · 2019 ·Vol. 4 ·期 4 ·1654-1664 · IF 4.912

Mo, Co co-doped NiS bulks supported on Ni foam as an efficient electrocatalyst for overall water splitting in alkaline media

Caiyun Wu,Yunmei Du,Yunlei Fu,Di Feng,Hui Li,Zhenyu Xiao,Yanru Liu,Yu Yang,Lei Wang

In this study, a composite of Mo, Co co-doped NiS bulks grown on an Ni foam (Mo,Co-NiS/NF) was synthesized as a bi-functional electrocatalyst for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) using a simple method. The existence of ZIF-67 and Mo ensure the even distribution of Co and Mo elements and the formation of N doped carbon layer in Mo, Co-NiS/NF. Mo, Co co-doping and NF support greatly improved the electrocatalytic performance of NiS bulks, because metal element doping could improve the intrinsic activity and electrical conductivity. Moreover, the Ni foam could act as a substrate to avoid aggregation and provide nickel source to form the bimetallic sulfide. The product Mo,Co-NiS/NF-400 showed outstanding electrochemical properties, with ultralow overpotential (92 mV vs. RHE) for HER and ultralow overpotential (117.2 mV vs. RHE) for OER to achieve 10 mA cm−2, as well as the ultralow cell voltage (1.36 V) to achieve 20 mA cm−2 for overall water splitting. This study provides an available method to promote the electrocatalytic activity of the traditional monometallic sulfides for overall water splitting.

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