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学者姓名：曹昌盛
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Single-atom catalysts (SACs) enable atomic-level control over active sites, but orbital-level manipulation to steer catalytic behavior remains challenging. Here, we address this issue through d-orbital engineering of Cu SACs, achieving simultaneous control over coordination geometry (Cu-N3) and high metal loading (33.2 wt%) for direct benzene-to-phenol oxidation with H2O2. The tri-coordinated Cu SAC (Cu-N3-33.2) exhibits the highest performance with 85.8% benzene conversion and a turnover frequency of 680.3 h-1 at 60 oC, ranking it among the best metal-based catalysts. In-situ ATR-IR spectroscopy and DFT calculations reveal that dynamically formed Cu-O intermediates, driven by p-d orbital hybridization between Cu (d orbitals) and O (p orbitals), lower the H2O2 activation barrier by 0.98 eV compared to Cu-N4 sites. High-density atomic Cu sites prevent over-oxidation by consuming singlet oxygen (1O2). This work establishes a dual-parameter optimization paradigm, including orbital configuration and site density, redefining design principles for selective oxidation SACs.
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| GB/T 7714 | Li, Shuchun , Cao, Changsheng , Chen, Jiabin et al. Manipulating d-orbital of Cu single atom site by coordination engineering for selective oxidation of benzene [J]. | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
| MLA | Li, Shuchun et al. "Manipulating d-orbital of Cu single atom site by coordination engineering for selective oxidation of benzene" . | NATURE COMMUNICATIONS 16 . 1 (2025) . |
| APA | Li, Shuchun , Cao, Changsheng , Chen, Jiabin , Wen, Wen , Zhang, Xuefei , Cui, Longji et al. Manipulating d-orbital of Cu single atom site by coordination engineering for selective oxidation of benzene . | NATURE COMMUNICATIONS , 2025 , 16 (1) . |
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The oxidative dehydrogenation of propane (ODHP) represents a highly promising route for the industrial-scale production of propene. Non-metallic boron nitride (BN)-based materials, known for their high propene selectivity, have emerged as next-generation ODH catalysts. However, the real active sites on surfaces remain unclear due to the absence of visual experimental evidence. In this work, we introduce a chemical titration approach to clarify the active centers of NaOH modified BN (BN-NaOH) catalysts for ODHP. The BN-NaOH catalyst demonstrates outstanding performance, achieving over 90 % olefin selectivity and a stable propane conversion of 23.2 %. Notably, the turnover frequency (TOF) for B-OH sites reaching 1.2 h- 1, which significantly surpassed that of unmodified BN catalysts (0.6 h- 1). In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis revealed that the formation of OH-nests on the BN-NaOH surface was primarily accountable for the enhanced reactivity. Moreover, the crucial role of these OH-nests during ODHP was further validated through selective chemical titration of B-OH groups using benzoic anhydride.
Keyword ：
Active sites Active sites Boron hydroxyl group Boron hydroxyl group In situ DRIFTS In situ DRIFTS Oxidative dehydrogenation of propane Oxidative dehydrogenation of propane
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| GB/T 7714 | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis [J]. | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
| MLA | Duan, Qiwei et al. "Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis" . | CHEMICAL ENGINEERING SCIENCE 306 (2025) . |
| APA | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue , Huang, Shuping , Chen, Ziyi , Yu, Kaihua et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis . | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
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Achieving metal interconnects for printed circuit boards (PCBs) is pivotal for the electronics industry. Through electrochemical analysis of Basic Blue 7 (BB7), an excellent suppressing effect was observed. Chronopotentiometry was used to study the possible concentration range of BB7 for microvia filling and a BB7 concentration range of 50-150 mg L-1 was selected to achieve superfilling electrodeposition. A difunctional mechanism of coordination and adsorption of BB7 during electrodeposition is proposed based on density functional theory (DFT) calculations and in situ Raman spectroscopy analysis. The interaction among BB7, the copper substrate and Cu2+ leads to the suppression of copper growth. The superfilling electroplating process is optimized and high filling performance can be achieved at 100 mg L-1 with filling percentage (FP) values of 80.19%, 84.70% and 87.90% for microvias with diameters of 150 mu m, 125 mu m and 100 mu m, respectively. Besides, a differential diffusion filling mechanism is proposed for the blind microvia filling process of the newly proposed electroplating system based on the analyses of the interaction among additives and diffusion kinetics. Furthermore, the performance of the copper interconnect layer, including surface morphology, phase structure and signal transmittance, is evaluated.
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| GB/T 7714 | Li, Yaqiang , Peng, Xuesong , Li, Ruopeng et al. Insights into the role of Basic Blue 7 as a leveler in copper superfilling within microvias [J]. | NEW JOURNAL OF CHEMISTRY , 2025 , 49 (28) : 12079-12089 . |
| MLA | Li, Yaqiang et al. "Insights into the role of Basic Blue 7 as a leveler in copper superfilling within microvias" . | NEW JOURNAL OF CHEMISTRY 49 . 28 (2025) : 12079-12089 . |
| APA | Li, Yaqiang , Peng, Xuesong , Li, Ruopeng , Jiang, Jie , Meng, Fan , Wu, Youzheng et al. Insights into the role of Basic Blue 7 as a leveler in copper superfilling within microvias . | NEW JOURNAL OF CHEMISTRY , 2025 , 49 (28) , 12079-12089 . |
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Transition metal phosphides (TMPs) have emerged as promising alternatives to commercial noble-metal-based electrocatalysts for the hydrogen evolution reaction (HER). However, their electrocatalytic performance is still far from practical application. Herein, a novel self-supported CoP-based electrode (MoZn-CoP/CC) was prepared, in which Mo and Zn co-doped CoP nanosheet arrays are tightly anchored on a carbon cloth (CC) matrix. Remarkably, the as-prepared MoZn-CoP/CC electrode exhibits outstanding HER performance with exceptional pH universality. More importantly, it only requires modest overpotentials to deliver the current densities exceeding 1.0 A cm-2 in both alkaline and acidic media, outperforming the commercial Pt catalyst. Experimental results combined with theoretical analysis reveal that co-doping of Mo and Zn can modulate the electronic structure of CoP, thereby optimizing the adsorption energy of hydrogen and ultimately improving the HER performance. This work provides an effective strategy to tune the electronic properties of TMPs via heteroatom doping for enhancing their electrocatalytic performance. (sic)(sic)(sic)(sic)(sic)(sic)(sic)(TMPs)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(HER)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic),(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(MoZn-CoP/CC),(sic)(sic)(sic)(sic)(sic)(sic)/(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic),(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)CoP(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic)MoZn-CoP/CC(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic),(sic)(sic)(sic)(sic)(sic)(sic)pH(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic),(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)1.0 A cm-2(sic)(sic)(sic)(sic)(sic)(sic),(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic),Mo-Zn(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)CoP(sic)(sic)(sic)(sic)(sic),(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic),(sic)(sic)(sic)(sic)(sic)(sic)(sic)HER(sic)(sic)(sic)(sic).(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic)(sic).
Keyword ：
Electrocatalysis Electrocatalysis Electronic structure Electronic structure Hydrogen evolution reaction Hydrogen evolution reaction Nanosheet arrays Nanosheet arrays Transition metal phosphides Transition metal phosphides
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| GB/T 7714 | Zhang, Wei , Xie, Xiu-Yuan , Cao, Chang-Sheng et al. Self-supported Mo and Zn co-doped CoP nanosheet array electrode for large-current-density hydrogen evolution [J]. | RARE METALS , 2025 , 44 (9) : 6258-6267 . |
| MLA | Zhang, Wei et al. "Self-supported Mo and Zn co-doped CoP nanosheet array electrode for large-current-density hydrogen evolution" . | RARE METALS 44 . 9 (2025) : 6258-6267 . |
| APA | Zhang, Wei , Xie, Xiu-Yuan , Cao, Chang-Sheng , Li, Ya-Qiang , Khan, Muhammad Imran , Zhu, Qi-Long . Self-supported Mo and Zn co-doped CoP nanosheet array electrode for large-current-density hydrogen evolution . | RARE METALS , 2025 , 44 (9) , 6258-6267 . |
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Transition metal-based electrocatalysts are a promising alternative to noble metal catalysts for electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural (HMF) into high-value 2,5furandicarboxylic acid (FDCA). However, the rational design of efficient electrocatalysts with precisely tailored structure-activity correlations remains a critical challenge. Herein, we report a hierarchically structured self-supporting electrode (Vo-NiCo(OH)2-NF) synthesized through in situ electrochemical reconstruction of NiCo-Prussian blue analogue (NiCo-PBA) precursor, in which oxygen vacancy (Vo)rich Co-doped Ni(OH)2 nanosheet arrays are vertically aligned on nickel foam (NF), creating an interconnected conductive network. When evaluated for the HMF oxidation reaction (HMFOR), Vo-NiCo(OH)2-NF exhibits exceptional electrochemical performance, achieving near-complete HMF conversion (99%), ultrahigh FDCA Faradaic efficiency (97.5%), and remarkable product yield (96.2%) at 1.45 V, outperforming conventional Co-doped Ni(OH)2 (NiCo(OH)2-NF) and pristine Ni(OH)2 (Ni(OH)2-NF) electrodes. By combining in situ spectroscopic characterization and theoretical calculations, we elucidate that the synergistic effects of Co-doping and oxygen vacancy engineering effectively modulate the electronic structure of Ni active centers, favor the formation of high-valent Ni3+ species, and optimize HMF adsorption, thereby improving the HMFOR performance. This work provides valuable mechanistic insights for catalyst design and may inspire the development of advanced transition metal-based electrodes for efficient biomass conversion systems. (c) 2025 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. and Science Press. All rights are reserved, including those for text and data mining, AI training, and similar technologies.
Keyword ：
Biomass upgrading Biomass upgrading Electrolysis Electrolysis Hierarchical structure Hierarchical structure Oxygen vacancy Oxygen vacancy Transition metal-based electrodes Transition metal-based electrodes
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| GB/T 7714 | Xie, Diexin , Chen, Jiabin , Hou, Jingxin et al. Rational design of oxygen vacancy-rich self-supporting NiCo(OH)2 electrode for efficient biomass upgrading [J]. | JOURNAL OF ENERGY CHEMISTRY , 2025 , 108 : 558-566 . |
| MLA | Xie, Diexin et al. "Rational design of oxygen vacancy-rich self-supporting NiCo(OH)2 electrode for efficient biomass upgrading" . | JOURNAL OF ENERGY CHEMISTRY 108 (2025) : 558-566 . |
| APA | Xie, Diexin , Chen, Jiabin , Hou, Jingxin , Yang, Fangfang , Feng, Runping , Cao, Changsheng et al. Rational design of oxygen vacancy-rich self-supporting NiCo(OH)2 electrode for efficient biomass upgrading . | JOURNAL OF ENERGY CHEMISTRY , 2025 , 108 , 558-566 . |
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Abstract ：
Transition metal-based electrocatalysts are a promising alternative to noble metal catalysts for electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural (HMF) into high-value 2,5-furandicarboxylic acid (FDCA). However, the rational design of efficient electrocatalysts with precisely tailored structure–activity correlations remains a critical challenge. Herein, we report a hierarchically structured self-supporting electrode (Vo-NiCo(OH)2-NF) synthesized through in situ electrochemical reconstruction of NiCo-Prussian blue analogue (NiCo-PBA) precursor, in which oxygen vacancy (Vo)-rich Co-doped Ni(OH)2 nanosheet arrays are vertically aligned on nickel foam (NF), creating an interconnected conductive network. When evaluated for the HMF oxidation reaction (HMFOR), Vo-NiCo(OH)2-NF exhibits exceptional electrochemical performance, achieving near-complete HMF conversion (99%), ultrahigh FDCA Faradaic efficiency (97.5%), and remarkable product yield (96.2%) at 1.45 V, outperforming conventional Co-doped Ni(OH)2 (NiCo(OH)2-NF) and pristine Ni(OH)2 (Ni(OH)2-NF) electrodes. By combining in situ spectroscopic characterization and theoretical calculations, we elucidate that the synergistic effects of Co-doping and oxygen vacancy engineering effectively modulate the electronic structure of Ni active centers, favor the formation of high-valent Ni3+ species, and optimize HMF adsorption, thereby improving the HMFOR performance. This work provides valuable mechanistic insights for catalyst design and may inspire the development of advanced transition metal-based electrodes for efficient biomass conversion systems. © 2025 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences.
Keyword ：
Coated wire electrodes Coated wire electrodes Electrolytic reduction Electrolytic reduction Nanosheets Nanosheets Reconstruction (structural) Reconstruction (structural) Structural analysis Structural analysis Structural dynamics Structural dynamics
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| GB/T 7714 | Xie, Diexin , Chen, Jiabin , Hou, Jingxin et al. Rational design of oxygen vacancy-rich self-supporting NiCo(OH)2 electrode for efficient biomass upgrading [J]. | Journal of Energy Chemistry , 2025 , 108 : 558-566 . |
| MLA | Xie, Diexin et al. "Rational design of oxygen vacancy-rich self-supporting NiCo(OH)2 electrode for efficient biomass upgrading" . | Journal of Energy Chemistry 108 (2025) : 558-566 . |
| APA | Xie, Diexin , Chen, Jiabin , Hou, Jingxin , Yang, Fangfang , Feng, Runping , Cao, Changsheng et al. Rational design of oxygen vacancy-rich self-supporting NiCo(OH)2 electrode for efficient biomass upgrading . | Journal of Energy Chemistry , 2025 , 108 , 558-566 . |
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Existing photocatalysts face several challenges in producing hydrogen peroxide (H2O2), including low photogenerated carrier separation, the need for sacrificial agents, and the difficulty of recovering powdered samples. In this work, we achieved high-efficiency H2O2 production in pure water by constructing Z-scheme heterojunctions of 2D MOF/In2S3 film, which enhanced the separation and transfer efficiency of photogenerated carriers and allowed for easy recycling. The Al/In15% composite exhibited a superior photocatalytic performance of 422.88 mu mol g(-1) h(-1) H2O2, which is 2.44 times higher than that of pure Al-TCPP. The superior photocatalytic activity can be attributed to the heterojunction creating a built-in electric field that facilitates space charge separation and transfer, effectively inhibiting photogenerated carrier recombination. The powdered samples were loaded onto a PTFE film, which allowed for easy recovery from the photocatalytic system and demonstrated excellent stability, providing an effective strategy for recovering powder-based photocatalysts. This study provides a new approach for solving the problems of poor carrier separation capacity and the challenging recovery of photocatalysts by constructing a Z-scheme heterojunction thin film, realizing the efficient use of solar energy to produce H2O2 in pure water.
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| GB/T 7714 | Xia, Sa-Sa , Li, Lan , Bao, Chenhao et al. Constructing 2D MOF/In2S3 heterojunctions for efficient solar-driven H2O2 synthesis in pure water [J]. | INORGANIC CHEMISTRY FRONTIERS , 2024 , 11 (19) : 6605-6615 . |
| MLA | Xia, Sa-Sa et al. "Constructing 2D MOF/In2S3 heterojunctions for efficient solar-driven H2O2 synthesis in pure water" . | INORGANIC CHEMISTRY FRONTIERS 11 . 19 (2024) : 6605-6615 . |
| APA | Xia, Sa-Sa , Li, Lan , Bao, Chenhao , Li, Chunyan , Wu, Jianhao , Wang, Xiaozhuo et al. Constructing 2D MOF/In2S3 heterojunctions for efficient solar-driven H2O2 synthesis in pure water . | INORGANIC CHEMISTRY FRONTIERS , 2024 , 11 (19) , 6605-6615 . |
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Maximizing the catalytic activity of single-atom and nanocluster catalysts through the modulation of the interaction between these components and the corresponding supports is crucial but challenging. Herein, guided by theoretical calculations, a nanoporous bilayer WS2 Moir & eacute; superlattices (MSLs) supported Au nanoclusters (NCs) adjacent to Ru single atoms (SAs) (Ru-1/Au-n-2LWS(2)) is developed for alkaline hydrogen evolution reaction (HER) for the first time. Theoretical analysis suggests that the induced robust electronic metal-support interaction effect in Ru-1/Au-n-2LWS(2) is prone to promote the charge redistribution among Ru SAs, Au NCs, and WS2 MSLs support, which is beneficial to reduce the energy barrier for water adsorption and thus promoting the subsequent H-2 formation. As feedback, the well-designed Ru-1/Au-n-2LWS(2) electrocatalyst exhibits outstanding HER performance with high activity (eta(10) = 19 mV), low Tafel slope (35 mV dec(-1)), and excellent long-term stability. Further, in situ, experimental studies reveal that the reconstruction of Ru SAs/NCs with S vacancies in Ru-1/Au-n-2LWS(2) structure acts as the main catalytically active center, while high-valence Au NCs are responsible for activating and stabilizing Ru sites to prevent the dissolution and deactivation of active sites. This work offers guidelines for the rational design of high-performance atomic-scale electrocatalysts.
Keyword ：
hydrogen evolution reaction hydrogen evolution reaction moir & eacute moir & eacute nanoclusters/single atoms electronic metal-support interaction nanoclusters/single atoms electronic metal-support interaction superlattices superlattices
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| GB/T 7714 | Chen, Dechao , Gao, Tianyu , Wei, Zengxi et al. WS2 Moire Superlattices Supporting Au Nanoclusters and Isolated Ru to Boost Hydrogen Production [J]. | ADVANCED MATERIALS , 2024 , 36 (46) . |
| MLA | Chen, Dechao et al. "WS2 Moire Superlattices Supporting Au Nanoclusters and Isolated Ru to Boost Hydrogen Production" . | ADVANCED MATERIALS 36 . 46 (2024) . |
| APA | Chen, Dechao , Gao, Tianyu , Wei, Zengxi , Wang, Mengjia , Ma, Yingfei , Xiao, Dongdong et al. WS2 Moire Superlattices Supporting Au Nanoclusters and Isolated Ru to Boost Hydrogen Production . | ADVANCED MATERIALS , 2024 , 36 (46) . |
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Photocatalytic organic synthesis has attracted much attention in recent years. Herein, a N and C co-decorated mesoporous TiO2 (mp-NCT) photocatalyst was synthesized for selective oxidation of alcohols. Notably, the asprepared mp-NCT composites possess large specific surface areas and mesoporous structures, which could provide sufficient active sites and improve mass transfer. Furthermore, the co-doping of N and C species could not only extend the light absorption, but also tune the valence band of TiO2. Meanwhile, numerous oxygen vacancies and intra-band could be introduced, which helps to reduce the combination of the photogenerated carriers. As a result, the mp-NCT composites show excellent photocatalytic performance towards selective oxidation of benzyl alcohol and its derivatives to corresponding aldehydes under simulated sunlight irradiation. Mechanism studies revealed that the photogenerated electrons, holes and high dynamic equilibrium concentration of O2 center dot- radicals were responsible for the efficient conversion of alcohols to aldehydes.
Keyword ：
functionalized TiO 2 functionalized TiO 2 Mesoporous Mesoporous N -doping N -doping Photocatalysis Photocatalysis Selective oxidation Selective oxidation
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| GB/T 7714 | Cao, Changsheng , Shen, Yaru , Shao, Yu . Rational design of nitrogen and carbon co-decorated mesoporous TiO2 composites for photocatalytic selective oxidation of alcohols [J]. | MOLECULAR CATALYSIS , 2024 , 567 . |
| MLA | Cao, Changsheng et al. "Rational design of nitrogen and carbon co-decorated mesoporous TiO2 composites for photocatalytic selective oxidation of alcohols" . | MOLECULAR CATALYSIS 567 (2024) . |
| APA | Cao, Changsheng , Shen, Yaru , Shao, Yu . Rational design of nitrogen and carbon co-decorated mesoporous TiO2 composites for photocatalytic selective oxidation of alcohols . | MOLECULAR CATALYSIS , 2024 , 567 . |
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Non-metallic heteroatom-doped carbon materials are promising catalysts for the oxidative dehydrogenation of propane (ODHP), but their controlled synthesis remains challenging. Herein, a novel three-dimensional N, P co-doped carbon nanosheet (NPC-NS-T) catalyst is prepared, which shows an impressive catalytic performance in the ODHP reaction with high propane conversion (20.0%) and high selectivity for propene (62.1%) and olefins (64.5%) at 500 degrees C along with good long-time stability. Comprehensive experimental characterizations revealed that incorporation of appropriate P can not only help to form more C 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 O species on the surface of NPC-NS-T but also inhibit the consumption of CO species under ODHP conditions, thereby remarkably improving the catalytic performance. This work could pave the way for developing efficient biomass-derived carbon catalysts for the oxidative dehydrogenation reactions of propane.
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| GB/T 7714 | Chen, Ziyi , Zhang, Xiaomin , Duan, Qiwei et al. Biomolecule-derived three-dimensional N, P co-doped carbon nanosheets for the efficient oxidative dehydrogenation of propane [J]. | DALTON TRANSACTIONS , 2024 , 54 (3) : 1191-1198 . |
| MLA | Chen, Ziyi et al. "Biomolecule-derived three-dimensional N, P co-doped carbon nanosheets for the efficient oxidative dehydrogenation of propane" . | DALTON TRANSACTIONS 54 . 3 (2024) : 1191-1198 . |
| APA | Chen, Ziyi , Zhang, Xiaomin , Duan, Qiwei , Wang, Guangming , Li, Shuchun , Yu, Kaihua et al. Biomolecule-derived three-dimensional N, P co-doped carbon nanosheets for the efficient oxidative dehydrogenation of propane . | DALTON TRANSACTIONS , 2024 , 54 (3) , 1191-1198 . |
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