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学者姓名：章永凡
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Abstract ：
A series of novel halogen-functionalized imidazolium halides were successfully designed and synthesized by grafting halogenated hydrocarbons on the side chain of imidazolium and were applied to catalyze the intermolecular dehydration of alcohols. Under metal-free, acid-free, solvent-free, mild conditions and in an air atmosphere, 1-(4-bromobutyl)-3-methylimidazolium bromide was found to efficiently catalyze the etherification of monohydric alcohols and diols, as well as the synthesis of certain unsymmetrical ethers. Interestingly, the immiscibility between ethers and ionic liquids resulted in the spontaneous separation of the catalyst from the product, which made this strategy highly applicable in the etherification. Furthermore, detailed mechanistic studies revealed that [BBrmim]Br formed a unique intermediate with a series of alcohol molecules, in which internal hydrogen atoms successfully underwent hydrogen transfer via hydrogen bonding, thereby ensuring a smooth catalytic process.
Keyword ：
1-(4-Bromobutyl)-3-methyl-imidazolium bromide 1-(4-Bromobutyl)-3-methyl-imidazolium bromide Hydrogen transfer Hydrogen transfer Intermolecular dehydration Intermolecular dehydration Ionic liquid Ionic liquid
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| GB/T 7714 | Wu, Shi , Ai, Zhiwei , Chen, Limei et al. 1-(4-Bromobutyl)-3-methyl-imidazolium Bromide: A Novel Green Ionic Liquid Catalyst for Intermolecular Dehydration of Alcohols [J]. | CHEMISTRYSELECT , 2025 , 10 (2) . |
| MLA | Wu, Shi et al. "1-(4-Bromobutyl)-3-methyl-imidazolium Bromide: A Novel Green Ionic Liquid Catalyst for Intermolecular Dehydration of Alcohols" . | CHEMISTRYSELECT 10 . 2 (2025) . |
| APA | Wu, Shi , Ai, Zhiwei , Chen, Limei , Tao, Huilin , Liu, Jia , Wang, Jia et al. 1-(4-Bromobutyl)-3-methyl-imidazolium Bromide: A Novel Green Ionic Liquid Catalyst for Intermolecular Dehydration of Alcohols . | CHEMISTRYSELECT , 2025 , 10 (2) . |
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Localized surface plasmon resonance (LSPR) on base-metal nanoparticles holds significant potential for applications in diverse fields owing to its capability for electric field enhancement. Nevertheless, the efficiency of single-energy conversion remains a limiting factor for LSPR applications. This study investigated the utilization of hot carriers, generated through the LSPR effect in copper nanoparticles (Cu NPs) supported on ZrO2, to enhance the performance of the thermal catalytic reverse water-gas shift (RWGS) reaction. Finite difference time domain simulations and Kelvin probe force microscopy (KPFM) tests demonstrated that LSPR induces a strong electric field, facilitating the excitation of hot carriers in Cu NPs. In-situ DRIFTS analysis revealed that hot electrons promote the formation of formate species (HCOO*) and their subsequent transformation into CO, identified as the rate-determining step. Furthermore, in-situ H2 pulse and quasi-in situ EPR analyses indicated that photo-assisted thermal conditions enhance the conversion of H2 into active hydrogen species (H* or H + ) on Cu NPs, promoting the generation of oxygen vacancies and the transformation of intermediates. Constrained density functional theory calculations further demonstrated that visible light irradiation reduces energy barriers, thereby increasing reaction efficiency. The findings provide valuable insights into the contribution of LSPR-induced hot electrons in advancing the RWGS reaction.
Keyword ：
Cu/ZrO 2 Cu/ZrO 2 Hot carriers Hot carriers Localized surface plasmon resonance Localized surface plasmon resonance Oxygen vacancies Oxygen vacancies Reverse water gas shift reaction Reverse water gas shift reaction
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| GB/T 7714 | Ni, Wenkang , Zhang, Xiaoyan , Yue, Xuanyu et al. Visible light enhanced thermocatalytic reverse water gas shift reaction via localized surface plasmon resonance of copper nanoparticles [J]. | SEPARATION AND PURIFICATION TECHNOLOGY , 2025 , 361 . |
| MLA | Ni, Wenkang et al. "Visible light enhanced thermocatalytic reverse water gas shift reaction via localized surface plasmon resonance of copper nanoparticles" . | SEPARATION AND PURIFICATION TECHNOLOGY 361 (2025) . |
| APA | Ni, Wenkang , Zhang, Xiaoyan , Yue, Xuanyu , Zhang, Zizhong , Zhang, Yongfan , Wang, Ke et al. Visible light enhanced thermocatalytic reverse water gas shift reaction via localized surface plasmon resonance of copper nanoparticles . | SEPARATION AND PURIFICATION TECHNOLOGY , 2025 , 361 . |
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Electrochemical interfaces between polymer electrolytes and electrodes are central to electrochemical devices in the global transition towards renewable energy. Here we show that the adsorption and desorption of sulfonates in Nafion on Pt(111) involve distinct elementary steps, with the latter proceeding through a coupled cation-electron transfer. Adsorbed sulfonates not only block a fraction of surface Pt sites but, more importantly, generate two additional types of surface adsorbate, OHNafion and ONafion, which exhibit distinct kinetic properties from adsorbed OH and O on bare Pt(111), respectively. The impact of the adsorption of sulfonate groups in Nafion on the activity of the oxygen reduction reaction (ORR) on Pt cannot be rationalized by existing thermodynamic descriptors. The reduced ORR activity on the Nafion-covered Pt(111) is caused by the kinetically hindered *O ->*OH conversion and *OH reduction on sites close to adsorbed sulfonates.
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| GB/T 7714 | Zhao, Kaiyue , Luo, Mingchuan , Zhang, Yongfan et al. Coupled cation-electron transfer at the Pt(111)/perfluoro-sulfonic acid ionomer interface and its impact on the oxygen reduction reaction kinetics [J]. | NATURE CATALYSIS , 2025 , 8 (1) : 46-57 . |
| MLA | Zhao, Kaiyue et al. "Coupled cation-electron transfer at the Pt(111)/perfluoro-sulfonic acid ionomer interface and its impact on the oxygen reduction reaction kinetics" . | NATURE CATALYSIS 8 . 1 (2025) : 46-57 . |
| APA | Zhao, Kaiyue , Luo, Mingchuan , Zhang, Yongfan , Chang, Xiaoxia , Xu, Bingjun . Coupled cation-electron transfer at the Pt(111)/perfluoro-sulfonic acid ionomer interface and its impact on the oxygen reduction reaction kinetics . | NATURE CATALYSIS , 2025 , 8 (1) , 46-57 . |
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Creating useful chemicals or fuels from CO2 is one of the most promising ways to reach carbon neutral. In this work, through the formation of Lewis acid sites, a string of boron-atom-coordinated Ru single-atom catalysts (SACs), namely RuBxN4-x@TiN (x=0–4), were constructed, and their CO2 reduction reaction (CO2RR) was systematically studied. The results show that o-RuB2N2@TiN, p-RuB2N2@TiN, and RuB3N1@TiN are able to efficiently inhibit the competitive hydrogen evolution reaction (HER) and activate CO2, with a potential-determining step lower than 0.7 eV and high selectivity for CH4 generation. This work shows that the synergistic effect of B and Ru atoms are able to effectively improve the catalytic activity, which is expected to offer a possible tactic for the sensible creation of effective CO2RR catalysts. © 2024
Keyword ：
CO2 reduction CO2 reduction Coordination-tuned Coordination-tuned Density functional theory Density functional theory Lewis acid sites Lewis acid sites TiN TiN
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| GB/T 7714 | Pan, J. , Kong, Y. , Li, Y. et al. Coordination-tuned Ru single-atom catalyst for efficient catalysis of CO2 to CH4 on RuBxN4-x@TiN (x=0–4) [J]. | Journal of CO2 Utilization , 2024 , 84 . |
| MLA | Pan, J. et al. "Coordination-tuned Ru single-atom catalyst for efficient catalysis of CO2 to CH4 on RuBxN4-x@TiN (x=0–4)" . | Journal of CO2 Utilization 84 (2024) . |
| APA | Pan, J. , Kong, Y. , Li, Y. , Zhang, Y. , Lin, W. . Coordination-tuned Ru single-atom catalyst for efficient catalysis of CO2 to CH4 on RuBxN4-x@TiN (x=0–4) . | Journal of CO2 Utilization , 2024 , 84 . |
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Phthalocyanines (Pcs) are considered promising in cancer phototherapy. However, their maximum absorption wavelengths are only around 700 nm, which cannot allow deep tissue penetration and leads to poor therapeutic efficacy. To expand their clinical application, significantly shifting their absorption to longer wavelengths is urgently required. Dye J-aggregates exhibit a redshifted absorption relative to its monomer. However, Pc J-aggregates with enormous-redshifted and intense absorption is rarely reported, and little is known about the relationships between Pc structure and J-aggregation. Herein, such Pc J-aggregates are ingeniously conceived. With a yeast β-D-glucan-ursodeoxycholic acid conjugate as a potential tumor-associated macrophages (TAMs)-targeting carrier and 1-(4-carboxyethylphenoxy) zinc (II) phthalocyanine (Pc1) as a model, Pc1 J-aggregate nanoparticle (NanoPc1) is obtained via ultrasonication-aided emulsification-solvent evaporation technique. NanoPc1 displays strong absorption at 830 nm, with a 156 nm redshift. Further investigation on another twenty-four Pcs demonstrates that unsubstituted zinc (II) or magnesium (II) Pc and hydrophobic mono-substituted zinc (II) or magnesium (II) Pcs with mono-substituted phenoxy or phenylthio or naphthoxy as a substituent can readily form desired Pc J-aggregates with significant redshifts (140–165 nm). The other Pcs fail to form expected J-aggregates probably due to absence of central metals, steric hindrance on central metals (atoms), forming axial coordination on central metals, disorder tendency during self-assembly or hydrophilicity. The theoretical calculation indicates that Pc1 in its J-aggregates exhibits a spiral-like arrangement, and the reduction in the energy gap between HOMO and LUMO and variation of intermolecular π-π interaction caused by J-aggregate formation are responsible for the huge redshift. Additionally, using NanoPc1 as an exemplar, such Pc J-aggregate nanoparticles are substantiated to afford TAMs-targeted and efficient tri-modal imaging and photothermal therapy in a H22 mouse model. © 2024 Elsevier B.V.
Keyword ：
J-aggregate J-aggregate Large redshift Large redshift Multimodal phototheranostics Multimodal phototheranostics Phthalocyanine Phthalocyanine Yeast glucan Yeast glucan
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| GB/T 7714 | Tang, F. , Yu, H. , Huang, Y. et al. Phthalocyanine J-aggregate nanoparticles with enormous-redshifted and intense absorption: Potential structure-J-aggregation relationships and application in tumor-associated macrophages-targeted phototheranostics [J]. | Chemical Engineering Journal , 2024 , 496 . |
| MLA | Tang, F. et al. "Phthalocyanine J-aggregate nanoparticles with enormous-redshifted and intense absorption: Potential structure-J-aggregation relationships and application in tumor-associated macrophages-targeted phototheranostics" . | Chemical Engineering Journal 496 (2024) . |
| APA | Tang, F. , Yu, H. , Huang, Y. , Zhao, X. , Chen, Z. , Ma, H. et al. Phthalocyanine J-aggregate nanoparticles with enormous-redshifted and intense absorption: Potential structure-J-aggregation relationships and application in tumor-associated macrophages-targeted phototheranostics . | Chemical Engineering Journal , 2024 , 496 . |
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Molybdenum diselenide(MoSe2) has attracted great interest as a promising nonprecious metal catalyst for hydrogen evolution reaction(HER). However, scarce catalytic sites and unsatisfactory electrocatalytic activity seriously impede its practical application. Single- and dual-atom catalysts play a crucial role in catalyzing of HER due to their unique electronic properties, highest atom utilization and synergistic effects. Herein, we screen a series of single- and dual-atom 3d-metals(Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) doping MoSe2 as potential HER electrocatalysts based on density functional theory calculations. All 3d-metals doping MoSe2 exhibit highly thermodynamically and electrochemical stabilities, which show significantly promoting adsorption-activity by 3d-metals dopants, due to synergistic interaction between active Se site and neighboring 3d-metals dopants. Specially, we screen out that dual Cu-Co-MoSe2 shows the best HER activity with low overpotential(only 30 mV), markedly lower than single Co-MoSe2(360 mV) and crystal Pt(90 mV), indicating promising candidate for non-noble metal HER catalyst. Furthermore, we find descriptors of Δdp and ICOHP can well predict materials’ HER performance and exhibit linear relationship with H-binding strength. This study will provide in-depth understanding for designing and screening of high-efficiency MoSe2-based catalysts for HER. © 2024 Elsevier B.V.
Keyword ：
Density functional theory Density functional theory Descriptor Descriptor Hydrogen evolution reaction Hydrogen evolution reaction Metal doping Metal doping MoSe2 MoSe2
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| GB/T 7714 | Chen, Y. , Huang, Y. , Xiong, K. et al. Cooperative 3d-metals doping MoSe2 catalysts for enhanced electrocatalytic hydrogen evolution reaction [J]. | Molecular Catalysis , 2024 , 566 . |
| MLA | Chen, Y. et al. "Cooperative 3d-metals doping MoSe2 catalysts for enhanced electrocatalytic hydrogen evolution reaction" . | Molecular Catalysis 566 (2024) . |
| APA | Chen, Y. , Huang, Y. , Xiong, K. , Ye, X. , Liu, Q. , Zhuang, J. et al. Cooperative 3d-metals doping MoSe2 catalysts for enhanced electrocatalytic hydrogen evolution reaction . | Molecular Catalysis , 2024 , 566 . |
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Photocatalytic CO2 conversion to industrial fuels is considered an effective measure to solve energy and environmental problems. Presently, Catalysts for CO2 reduction reaction (CO2RR) are mostly confined to metal-based materials, but non-metal materials are less explored. We decorate the highly crystalline carbon nitride, i.e., poly(triazine) imides (PTI), with non-metallic boron (B) to obtain two B/PTI catalysts: Bi/PTI with B being deposited into the six-fold cavity of the PTI, and Bs/PTI with B substituting for C in PTI. For CO2RR, Bi/PTI follows a quasi Mars-van Krevelen process, but the high exposure of Bi results in an overly strong interaction with intermediates, inhibiting the reactivity. In contrast, Bs/PTI enhances the binding with intermediates by introducing Lewis acid-base pairs (B-N), which reduce the ring conjugation effect and induce the enrichment of electrons at the pyridine N. Hence, CO2 reduction with the adsorbed H* (Ha) hydrogenation mechanism in Bs/PTI has a significant reactivity. © 2024 Elsevier B.V.
Keyword ：
Bismuth compounds Bismuth compounds Carbon dioxide Carbon dioxide Carbon nitride Carbon nitride Catalysts Catalysts Hydrogen Hydrogen Photocatalytic activity Photocatalytic activity
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| GB/T 7714 | Kong, Yuehua , Pan, Junhui , Li, Yi et al. Effect of hydrogen sources toward the CO2 photoreduction on boron decorated crystalline carbon nitride [J]. | Applied Surface Science , 2024 , 669 . |
| MLA | Kong, Yuehua et al. "Effect of hydrogen sources toward the CO2 photoreduction on boron decorated crystalline carbon nitride" . | Applied Surface Science 669 (2024) . |
| APA | Kong, Yuehua , Pan, Junhui , Li, Yi , Zhang, Yongfan , Lin, Wei . Effect of hydrogen sources toward the CO2 photoreduction on boron decorated crystalline carbon nitride . | Applied Surface Science , 2024 , 669 . |
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Cadmium sulfide (CdS) exhibits remarkable light absorption capabilities and is widely employed in photocatalytic reduction of CO2. Nevertheless, the crystal facet effects on the micro-scale mechanisms governing CO2 conversion on CdS remain elusive. This study theoretically investigates the electronic properties of hexagonal-phase (101), (001), and cubic-phase (111) CdS surfaces modified with diethylenetriamine (DETA). From a microscopic viewpoint, it elucidates the unique bonding characteristics of CO2 on different exposed facets of DETA/CdS and the formation mechanisms leading to products such as CO, HCOOH, CH2O, CH3OH, and CH4. Our findings reveal that the DETA/CdS(101) surface is the most stable, effectively adsorbing hydrogen and CO2 at varied Cd sites with a high selectivity towards CO production, thereby showing promise for syngas generation, albeit with potential yields of formic acid and methane. Conversely, DETA/CdS(001) and (111) primarily facilitate the reduction of CO2 to CH4. These discoveries offer theoretical insights into photochemical experiments involving CO2 reduction on CdS, shedding light on the influence of crystal facets on reaction pathways.
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| GB/T 7714 | Guo, Meiyan , Yang, Wanxiang , Li, Yi et al. Mechanistic study of DETA-modified CdS for carbon dioxide reduction [J]. | CATALYSIS SCIENCE & TECHNOLOGY , 2024 , 14 (24) : 7172-7181 . |
| MLA | Guo, Meiyan et al. "Mechanistic study of DETA-modified CdS for carbon dioxide reduction" . | CATALYSIS SCIENCE & TECHNOLOGY 14 . 24 (2024) : 7172-7181 . |
| APA | Guo, Meiyan , Yang, Wanxiang , Li, Yi , Zhang, Yongfan , Lin, Wei . Mechanistic study of DETA-modified CdS for carbon dioxide reduction . | CATALYSIS SCIENCE & TECHNOLOGY , 2024 , 14 (24) , 7172-7181 . |
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Based on the thermal stability analysis by density functional theory and the crystal phase optimization by tolerance factor, the crystal structure was designed. So, a new cubic Ce3Sc2Ga3O12 (CSGG) garnet material with a high Ce3+ concentration was synthesized. The centimeter-scale CSGG crystal was grown by the Czochralski method. CSGG exhibits fine magneto-optical properties, which are attributed to the stable valence and high concentration of rare-earth Ce3+ ions. Compared with commercial Tb3Ga5O12 (TGG), CSGG is also paramagnetic, but its magneto-optical properties are better. The Verdet constants of CSGG in 532, 635, 1064, and 1550 nm are -380.0, -258.8, -47.5, and -22.4 rad/Tm, respectively, which are from 1.2 to 2.0 times that of TGG. Moreover, the CSGG crystal has high transmittance in 1500-2300 nm to make up for the poor transmittance of TGG crystal in this band. Also, considering its low raw material cost, the CSGG crystal presents promising application potential. It could be qualified as an essential material for magneto-optical isolators, circulators, and switches within the visible to mid-infrared band.
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| GB/T 7714 | Liu, Mengli , Wang, Ningjing , Zhang, Liangchen et al. Structure and Magnetic and Magneto-Optical Properties of a New Cubic Ce3Sc2Ga3O12 Garnet Crystal with Heavy Ce3+ Concentration [J]. | CRYSTAL GROWTH & DESIGN , 2024 , 24 (10) : 4086-4093 . |
| MLA | Liu, Mengli et al. "Structure and Magnetic and Magneto-Optical Properties of a New Cubic Ce3Sc2Ga3O12 Garnet Crystal with Heavy Ce3+ Concentration" . | CRYSTAL GROWTH & DESIGN 24 . 10 (2024) : 4086-4093 . |
| APA | Liu, Mengli , Wang, Ningjing , Zhang, Liangchen , Liu, Haipeng , Feng, Jiawen , Gao, Teng et al. Structure and Magnetic and Magneto-Optical Properties of a New Cubic Ce3Sc2Ga3O12 Garnet Crystal with Heavy Ce3+ Concentration . | CRYSTAL GROWTH & DESIGN , 2024 , 24 (10) , 4086-4093 . |
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The nitrate reduction reaction (NO3RR) has emerged as a promising approach for wastewater treatment and ammonia (NH3) synthesis. Poly(triazine imide)/LiCl (PTI/LiCl), a highly crystalline carbon nitride with a well-defined structure, has shown significant potential in this field. In this study, the electronic properties and catalytic performance of PTI/LiCl for NO3RR were investigated through theoretical calculations. Band structure and projected density of states (PDOS) analyses show that the intercalation of Li+ and Cl- ions within the PTI pores enhances electronic conductivity and improves its electronic properties. The reduction of nitrate to NH3 through a series of intermediates on the PTI/LiCl (001) surface shows exothermic free energy changes for each elementary step. The catalyst demonstrates outstanding selectivity and stability, effectively suppressing the competitive hydrogen evolution reaction and byproduct formation. Charge density difference and PDOS analyses confirm the orbital interactions between absorbed NO3 and Li ions. The study highlights the potential of PTI/LiCl as a low-cost, efficient electrocatalyst for NO3RR and provides theoretical and practical insights for the design of environmentally friendly catalysts.
Keyword ：
ammonia synthesis ammonia synthesis crystalline carbon nitride crystalline carbon nitride density functional theorycalculations density functional theorycalculations nitrate reduction reaction nitrate reduction reaction poly(triazine imide)/LiCl poly(triazine imide)/LiCl
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| GB/T 7714 | Xie, Fangting , Cai, Xu , Li, Yi et al. Theoretical Insights into the Efficient Reduction of Nitrate to Ammonia on Crystalline Carbon Nitride [J]. | ACS APPLIED MATERIALS & INTERFACES , 2024 , 17 (2) : 3366-3375 . |
| MLA | Xie, Fangting et al. "Theoretical Insights into the Efficient Reduction of Nitrate to Ammonia on Crystalline Carbon Nitride" . | ACS APPLIED MATERIALS & INTERFACES 17 . 2 (2024) : 3366-3375 . |
| APA | Xie, Fangting , Cai, Xu , Li, Yi , Zhang, Yongfan , Lin, Wei . Theoretical Insights into the Efficient Reduction of Nitrate to Ammonia on Crystalline Carbon Nitride . | ACS APPLIED MATERIALS & INTERFACES , 2024 , 17 (2) , 3366-3375 . |
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