Inorganic Chemistry Frontiers
·
2025
·
IF 6.4
Yujie Wang,Ziqi Zhong,Guowu Zhan,Jingran Xiao
Molybdenum (Mo) doping has been recognized as an effective strategy to enhance the low-bias performance of hematite (Fe2O3) photoanodes in photoelectrochemical (PEC) water splitting. This study develops a mild hydrothermal strategy for incorporating Mo into Fe2O3 photoanodes, forming a Mo–O–Fe surface layer while avoiding the morphological degradation associated with conventional calcination. Although this modification enhances bulk charge separation and surface charge injection, the resulting Mo–O–Fe interface suppresses the functionality of directly deposited FeNi oxyhydroxide cocatalysts, yielding limited performance gains. To overcome this limitation, a hydroxyethylidene diphosphonic acid (HEDP) interlayer is introduced, which enables synergistic cooperation among the three components. It is plausible that HEDP acts as a hole-transfer mediator, shuttling holes from Mo–O–Fe surface states to the FeNi cocatalyst. The optimized FeNi/HEDP/Mo-Fe2O3 photoanode achieves a notable photocurrent density of 1.26 mA cm−2 at a low bias of 0.90 V vs. RHE and an onset potential of 0.59 V vs. RHE. The synergistic combination of mild hydrothermal doping and molecular interfacial engineering presented here provides a conceptual blueprint for the rational design of photoelectrodes, highlighting the critical need to manage interfacial charge dynamics to achieve high efficiency in the low-bias regime.
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MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
·
2021
·
IF 5.234
Yongxia Li,Hui Qi,Jia Yu,Wenbo Han
Silicon nitride ceramic composites were densified by spark plasma sintering with different-sized Mo particles. In-situ synthesis of Mo-Si compound can accelerate the nucleation of β-Si 3 N 4 grain, and the number of β-Si 3 N 4 grain nucleation increases with decrease of Mo particle size during spark plasma sintering . The effect of Mo particle size on the grain growth of β-Si 3 N 4 is significant, while that for the phase composition of Si 3 N 4 samples is negligible. Si 3 N 4 ceramic composites with 6 wt% nano-sized Mo addition are shown to have the highest bending strength (922.56 MPa) and fracture toughness (8.94 MPa m 0.5 ), which is attributed primarily to more elongated β-Si 3 N 4 grains obtained by more β-Si 3 N 4 grain nucleation.
研究领域:
材料科学
·
陶瓷工程
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APPLIED SURFACE SCIENCE
·
2022
·
IF 7.392
Shiwei Song,Yanhui Wang,Xiaoxu Liu,Xueqing Tian,Yucan Liu,Xiaodong Liu,Fanjia Sun,Yungang Yuan,Wei Li,Jianbing Zang
Seawater electrolysis achieves sustainable hydrogen production and seawater desalination in the context of the scarcity of freshwater resources, achieving two birds with one stone. In this study, we reported an Mo-doped NiFe-phosphate hollow bird-nest architecture consisting of porous nanosheets on NiFe-foam (Mo-NiFe-PO 3 /NFF) as an admired bifunctional electrocatalyst for overall seawater splitting. The introduction of Mo distorted the crystal structure of NiFe-phosphate, regulated the electronic environment around the Ni/Fe, and improved the electrocatalytic activity. Moreover, it also cooperated with phosphate polyanions to resist the Cl − from seawater and enhanced the corrosion resistance . The Mo-NiFe-PO 3 /NFF exhibited outstanding electrocatalytic performance for alkaline seawater electrolysis under a two-electrode system where only required 1.65 V voltage to drive 100 mA cm −2 . Particularly, the electrolyzer afforded industrially current density up to 500 mA cm −2 at a low voltage of 1.78 V, which were responsible for excellent durability up to 100 h. The bifunctional electrocatalyst in this study not only possessed high catalytic activity, but also effectively resisted the corrosion of Cl − in seawater.
研究领域:
材料科学
·
电化学
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ACS Nano
·
2026
·
IF 17.3
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.
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PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
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
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IF 11.9
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
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
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.
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Energy & Environmental Materials
·
2026
·
IF 13.8
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.
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JOURNAL OF ALLOYS AND COMPOUNDS
·
2026
·
IF 6.7
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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Small
·
2026
·
IF 11.8
Hui Wang,Yanan Li,Jingjing Dou,Qing Xu,Zitong Jiang,Tao Zhang,Chaozheng He,Mingshang Jin,Xiang Li
Direct ethanol fuel cells (DEFCs) are promising clean energy devices, but their efficiency is limited by the low C-C bond cleavage efficiency of Pd-based catalysts. Herein, we synthesized In-Mo codoped Pd metallene with rich interface defects via a simple wet-chemical method, which consists of face-centered cubic, intermetallic and amorphous phases. The catalyst's structure and ethanol electrooxidation reaction (EOR) performance was systematically characterized, and the mechanism was revealed by in situ ATR-FTIR, HPLC and DFT calculations. Results showed that the optimal PdInMo metallene exhibited a C1 pathway selectivity of 73.68%, which was 12.02 time that of commercial Pd/C. Its mass activity and specific activity were 4273.8 mA mg Pd −1 and 8.36 mA cm −2 , 2.38 and 1.34 times higher than those of undoped Pd metallene (1795.9 mA mg Pd −1 and 6.25 mA cm −2 ), 6.85 and 3.83 times higher than those of commercial Pd/C (624.2 mA mg Pd −1 and 2.18 mA cm −2 ), respectively, with excellent cycling stability (75.10% activity retention). The enhanced performance was attributed to the synergistic effect of In─Mo codoping and rich interface defects: strengthened OH* adsorption, weakened CO* adsorption, and reduced C─C bond cleavage energy barrier. This study provides a novel strategy for designing high-selectivity and high-activity Pd-based catalysts for EOR.
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PubMed
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2026
·
IF 6.7
Ting Li,Jinhua Xu,Guojing Cao,Xiaoxue Jiang,Cuiqin Li
The ultrahigh-nickel quaternary cathode material LiNi 1-x-y-z Co x Mn y Al z O 2 (1-x-y-z ≥ 0.9, NCMA) combines the complementary advantages of its ternary counterparts, LiNi x Co y Mn z O 2 (x≥0.9, NCM) and LiNi x Co y Al z O 2 (x≥0.9, NCA). Benefiting from its high specific capacity and exceptional rate capability, the NCMA cathode has attracted widespread attention as a promising candidate for the high-end energy storage market. However, oversized primary particles typically exacerbate internal stress, leading to secondary particle pulverization and microcrack propagation, which severely degrade cycling stability and trigger capacity fade. To address these limitations, this study introduces Mo 6+ doping into NCMA to guide the radial growth of primary particles, resulting in a distinct elongated, rod-shaped morphology. This structural modification effectively shortens Li + transport pathways and mitigates internal-stress-induced microcracks. Concurrently, the dual roles of Mo are elucidated: its incorporation into the bulk lattice induces lattice expansion that widens Li + diffusion channels, while its segregation at grain boundaries restricts grain growth and fosters the radial morphology. This synergistic effect significantly accelerates Li + transport kinetics during cycling. Consequently, the optimized Mo-doped NCMA delivers a high reversible capacity of 213.5 mAh·g -1 at 0.2 C, 134.9 mAh·g -1 at 10 C, and a 94.9% retention rate after 100 cycles at 1 C. Furthermore, its practical viability was further assessed in a full-cell configuration, which maintained stability over 500 cycles and delivered 72.13% capacity retention. Overall, the Mo 6+ doping strategy successfully enhances the electrochemical performance of NCMA, offering a promising avenue for the modification of ultrahigh-nickel quaternary cathode materials.
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