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Boosting hydrocarbon conversion via Cu-doping induced oxygen vacancies on CeO2 in CO2 electroreduction

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Journal of Energy chemistry 2025年第1期100卷 66-76页

作者： Lei Xue Tong Shi Chenhui Han Heng Zhang Fenrong Liu Haorun Li Yan Wang Xiaojun Gu Shanghong Zeng Inner Mongolia Key Laboratory of chemistry and Physics of Rare Earth Materials School of Chemistry and Chemical Engineering Inner Mongolia University State Key Laboratory of Coal Conversion Institute of Coal Chemistry Chinese Academy of Sciences institute of Catalysis Department of Chemistry Zhejiang University National Key Laboratory of Baiyunobo Rare Earth Resource Research and Comprehensive Utilization Baotou Research Institute of Rare Earths

Conversion of CO2back to hydrocarbons is the most direct way of closing the“carbon cycle”,and its significance is further enlarged if this process is driven by renewable energies such as ***,precisely controlling the product selectivity towards hydrocarbons against the competitive hydrogen evolution remains challenging,especially for Cu-based ***,we report a novel defect engineering strategy,by which Cu-doping-induced oxygen vacancies on CeO2nanorods were effectively created,with adjustable vacancy/Cu *** resulting optimum catalyst shows up to 79% catalytic current density to hydrocarbons （excluding CO）,with 49% faradaic efficiency to *** and density functional theory unveil that the ratio between oxygen vacancy and Cu affects significantly the formation of*CHO and activation of H2O,which leads to the following deep hydrogenation to *** findings may spur new insights for designing and developing more controllable chemical process relevant to CO2utilization.

关键词： Oxygen vacancy Hydrocarbon production Reaction mechanism

Amino acid assisted aqueous synthesis of highly stable CsPbBr_(3)nanocrystals for cell imaging

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Nano Research 2025年第1期18卷 675-683页

作者： Xue Li Yanan Guo Guoying Tan Qingyi Liu Nan Song Yu Tang State Key Laboratory of Applied organic chemistry Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu ProvinceCollege of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000China State Key Laboratory of Baiyunobo Rare Earth Resource Researches and Comprehensive Utilization Baotou Research Institute of Rare EarthsBaotou 014030China

Lead halide perovskite nanocrystals(NCs)exhibit excellent optoelectronic performance and have drawn great interests in the fields of biological imaging and ***,the poor stability of CsPbX_(3)(X=Cl,Br,I)in water is still a challenge to hinder their practical *** this work,a facile strategy has been developed for aqueous synthesis of CsPbX_(3) nanocrystals,in which L-glutamic acid(LGlu)has been used to replace oleic acid in the synthetic *** from the synergic effects of L-Glu and oleylamine(OAm),CsPbBr_(3)nanocrystals(L-Glu/OAm-CsPbBr_(3)NCs)with high water stability have been directly prepared under a mild condition at room temperature in water,facilitated by the process of crystal phase transformation from Cs_(4)PbBr_(6) to CsPbBr_(3).L-Glu/OAm-CsPbBr_(3)NCs exhibit a high quantum yield of 85%and a narrow full width at half maximum of 16 nm,demonstrating their efficient luminescence in ***,L-Glu on the surface have contributed greatly to an acidic environment and passivation of surface defects,improving the water stability and dispersibility of CsPbBr_(3)***,L-Glu/OAm-CsPbBr_(3)NCs exhibit great biocompatibility due to the presence of L-Glu,resulting in their good performance for HeLa cell ***,we propose a facile and effective method to prepare CsPbBr_(3)nanocrystals with excellent water stability by using L-Glu and OAm as cooperated ligands and expand their application in cell imaging.

关键词： aqueous synthesis cell imaging lead halide perovskite nanocrystals L-glutamic acid phase transformation

Boosting bidirectional sulfur conversion enabled by introducing boron-doped atoms and phosphorus vacancies in Ni2P for lithium-sulfur batteries

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Journal of Energy chemistry 2025年第1期100卷 760-769页

作者： Lin Peng Yu Bai Hang Li Meixiu Qu Zhenhua Wang Kening Sun Advanced Research institute of Multidisciplinary Science Beijing Institute of Technology Beijing Key Laboratory of Chemical Power Source and Green Catalysis School of Chemistry and Chemical Engineering Beijing Institute of Technology

Lithium-sulfur （Li-S） batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish redox ***,we supply a strategy to optimize the electron structure of Ni2P by concurrently introducing B-doped atoms and P vacancies in Ni2P （Vp-B-Ni2P）,thereby enhancing the bidirectional sulfur *** study indicates that the simultaneous introduction of B-doped atoms and P vacancies in Ni2P causes the redistribution of electron around Ni atoms,bringing about the upward shift of d-band center of Ni atoms and effective d-p orbital hybridization between Ni atoms and sulfur species,thus strengthening the chemical anchoring for lithium polysulfides （LiPSs） as well as expediting the bidirectional conversion kinetics of sulfur ***,theoretical calculations reveal that the incorporation of B-doped atoms and P vacancies in Ni2P selectively promotes Li2S dissolution and nucleation ***,the Li-S batteries with Vp-B-Ni2P-separators present outstanding rate ability of 777 m A h g-1at 5 C and high areal capacity of 8.03 mA h cm-2under E/S of 5μL mg-1and sulfur loading of 7.20 mg *** work elucidates that introducing heteroatom and vacancy in metal phosphide collaboratively regulates the electron structure to accelerate bidirectional sulfur conversion.

关键词： Lithium sulfur batteries

A low redox potential and long life organic anode material for sodium-ion batteries

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Journal of Energy chemistry 2025年第1期100卷 557-564页

作者： Zhi Li Yang Wei Kang Zhou Xin Huang Xing Zhou Jie Xu Taoyi Kong Junwei Lucas Bao Xiaoli Dong Yonggang Wang Department of chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Institute of New Energy Collaborative Innovation Center of Chemistry for Energy Materials (iChEM) Fudan University Department of chemistry Boston College School of Materials Science and Engineering Anhui University of Technology

Sodium-ion batteries （SIBs） with organic electrodes are an emerging research direction due to the sustainability of organic materials based on elements like C,H,O,and sodium ***,organic electrode materials for SIBs are mainly used as cathodes because of their relatively high redox potentials（>1 V）.organic electrodes with low redox potential that can be used as anode are ***,a novel organic anode material （tetrasodium 1,4,5,8-naphthalenetetracarboxylate,Na4TDC） has been developed with low redox potential （<0.7 V） and excellent cyclic *** three-sodium storage mechanism was demonstrated with various in-situ/ex-situ spectroscopy and theoretical calculations,showing a high capacity of 208 mAh/g and an average decay rate of merely 0.022%per ***,the Na4TDC-hard carbon composite can further acquire improved capacity and cycling stability for 1200 cycles even with a high mass loading of up to 20 mg *** pairing with a thick Na3V2（PO4）3cathode (20.6 mg cm-2),the as-fabricated full cell exhibited high operating voltage （2.8 V）,excellent rate performance and cycling stability with a high capacity retention of 88.7% after 200 cycles,well highlighting the Na4TDC anode material for SIBs.

关键词： organic anode material Low redox potential Composite anode Sodium-ion batteries

China's flourishing synthetic organofluorine chemistry:innovations in the new millennium

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National Science Review 2017年第3期4卷 303-325页

作者： Qinghe Liu Chuanfa Ni Jinbo Hu Key Laboratory of Organofluorine chemistry Shanghai Institute of Organic Chemistry Chinese Academy of Sciences

The new millennium has witnessed the rapid development of synthetic organofluorine chemistry all over the world, and chemists in China have made significant contributions in this field. This review aims to provide a brief introduction to China’s primary innovations from 2000 to early 2017, covering fluorination,fluoroalkylation, fluoromethylthiolation, fluoroolefination and polyfluoroarylation, as well as synthesis with fluorinated building blocks. Recent advances in the chemistry of difluorocarbene and the chemistry of carbon–fluorine bond activation are also discussed. As a conclusion, the review ends with some personal perspectives on the future development of China’s synthetic organofluorine chemistry.

关键词： fluorine organic chemistry synthetic methods fluorination trifluoromethylation trifluoromethylthiolation difluoromethylation difluoroalkylation fluoromethylation fluoroolefination

Gold carbene chemistry from diazo compounds

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Science Bulletin 2015年第17期60卷 1479-1492页

作者： Fang Wei Chuanling Song Yudao Ma Ling Zhou Chen-Ho Tung Zhenghu Xu Key Laboratory for Colloid and Interface chemistry of Education Ministry School of Chemistry and Chemical Engineering Shandong University Department of chemistry and biochemistry Miami University State Key Laboratory of Organometallic chemistry Shanghai Institute of Organic Chemistry Chinese Academy of Sciences

Diazo compounds are generally used as carbene precursors. Traditionally, dirhodium, copper and iron catalysts were used to decompose diazo compounds to form the key metal carbene intermediates. Recently, the gold catalysts have been developed as a unique type of metal catalyst to decompose diazo compounds. The derived gold carbene showed much different characters comparing with other transition metal carbenes. They could go through a series of cycloaddition, insertion and coupling reactions. Here, the recent progress of the gold carbene chemistry from diazo compounds was reviewed, including the scope of reactions,mechanism and synthetic applications.

关键词： Gold carbene Diazo compounds Cycloaddition Insertion reaction Coupling reaction

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Design, synthesis and bioactivity of novel ALS enzyme inhibitors (II)——Molecular mechanics, quantum chemistry and structure-activity relationship studies on the herbicidal heterocyclic sulfonamide

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Science China chemistry 1996年第1期39卷 78-85页

作者：陆荣健杨华铮尚贞锋汪惟为潘荫明赵学庄 institute of Elemento-organic chemistry State Key Laboratory of Elemento-Organic Chemistry Nankai University Tianjin 300071 China Department of chemistry Nankai University Tianjin 300071 China

In view of quantum pharmacology, the structure-activity relationships of different kinds of fused heterocydic sulfonamides with the same mode of action were first investigated using molecular mechanics, quantum chemistry and discriminatory analysis. It has been found that the process of the interaction of the fused heterocydic sulfonamide with ALS enzyme involves the electropositive region of the sulfonyl bridge chain and the electronegative region of the heterocydic moiety. The herbicidal activity is related to the potency of electric charge translocation of the related regions.

关键词： fused heterocyclic sulfonamide ALS enzyme inhibitor structure-activity relationship quantum pharmacology sulfonylurea.

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The chemistry of Tetrafluoroallene:One-pot Synthesis of Trifluoromethylindolizines from 1,3-Diiodo-1,1,3,3-tetrafluoropropane by 1,3-Dipolar Cycloaddition

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Chinese Journal of chemistry 2003年第7期21卷 898-903页

作者：肖吉昌陈庆云 Laboratory of Organofluorine chemistry Shanghai Institute of Organic Chemistry Chinese Academy of Sciences Shanghai 200032 China

Heating a mixture of 1, 3-diiodo-1 ,1,3, 3-tetrafluoropropane (2), K2CO3, pyridinium bromides (3) in CH3CN at 65℃ for 10 h gives the corresponding trifluoromethylindolizines.

关键词： tetrafluoroallene trifluoromethylindolizine 1,3-diio-do-1 1,3 3-tetrafluoropropane 1 3-dipolar cycloaddition one-pot synthesis

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Developing molecular-level models for organic field-effect transistors

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National Science Review 2021年第4期8卷 167-180页

作者： Haoyuan Li Jean-Luc Brédas School of chemistry and biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology Department of chemistry and biochemistry University of Arizona

organic field-effect transistors(OFETs) are not only functional devices but also represent an important tool for measuring the charge-transport properties of organic semiconductors(OSs). Thus, efforts to understand the performance and characteristics of OFET devices are not only useful in helping achieve higher device efficiencies but also critical to ensuring accuracy in the evaluations of OS charge *** studies rely on OFET device models, which connect the measured current characteristics to the properties of the OSs. Developing such OFET models requires good knowledge of the charge-transport processes in OSs. In device active layers, the OS thin films are either amorphous(e.g. in organic light-emitting diodes and organic solar cells) or crystalline(e.g. those optimized for charge transport in OFETs). When the electronic couplings between adjacent OS molecules or polymer chain segments are weak, the charge-transport mechanism is dominated by hopping processes, which is the context in which we frame the discussion in this Review. Factors such as disorder, mobility anisotropy, traps, grain boundaries or film morphology all impact charge transport. To take these features fully into account in an OFET device model requires considering a nano-scale, molecular-level resolution. Here, we discuss the recent development of such molecular-resolution OFET models based on a kinetic Monte Carlo approach relevant to the hopping regime. We also briefly describe the applicability of these models to high-mobility OFETs,where we underline the need to extend them to incorporate aspects related to charge delocalization.

关键词： organic semiconductors charge transport kinetic Monte Carlo simulations mobility measurements gradual channel approximation