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RSscore:Reaction superiority learned from reaction mapping hypergraph

Chinese Journal of Chemical engineering 2024年第10期74卷 203-215页

作者： Chenyang Xu Lijuan Guo Kang Zhou Hai Yu Chaoliang Wei Fengqi Fan Lei Zhang State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical EngineeringInstitute of Chemical Process Systems EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China PetroChina Lanzhou Lubricating Oil Research&Development Institute Lanzhou 730060China

The selection of chemical reactions is directly related to the quality of synthesis pathways,so a reasonable reaction evaluation metric plays a crucial role in the design and planning of synthesis *** reaction conditions also need to be considered in synthesis pathway design,a reaction metric that combines reaction time,temperature,and yield is required for chemical reactions of different reaction *** this study,a chemical reaction graph descriptor which includes the atom-atom mapping relationship is proposed to effectively describe ***,through pre-training using graph contrastive learning and fine-tuning through supervised learning,we establish a model for generating the probability of reaction superiority(RSscore).Finally,to validate the effectiveness of the current evaluation index,RSscore is applied in two applications,namely reaction evaluation and synthesis routes analysis,which proves that the RSscore provides an important agents-considered evaluation criterion for computer-aided synthesis planning(CASP).

关键词： Computer-aided synthesis planning Neural networks Reaction evaluation indicator Reaction graph Graph contractive learning

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Insight into leaching rare earth from ion-adsorption type rare earth ores with citric acid:Performance,kinetic analysis and differentiation leaching

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Journal of Rare Earths 2025年第3期43卷 591-602,I0007页

作者： Mengfei Zhao Zedong Teng Xingyu Ma Xiaoliang Jiang Hualin Zhang Youming Yang Tinggang Li Faculty of Materials Metallurgy and Chemistry Jiangxi University of Science and TechnologyGanzhou341000China Key Laboratory of Rare Earths Jiangxi Institute of Rare EarthsGanjiang Innovation AcademyChinese Academy of SciencesGanzhou341119China CAS Key Laboratory of Green Process and Engineering Innovation Academy for Green ManufactureNational Engineering Research Center of Green Recycling for Strategic Metal ResourcesBeijing Engineering Research Centre of Process Pollution ControlInstitute of Process EngineeringChinese Academy ofSciencesBeijing100190China State Key Laboratory of Biochemical Engineering Key Laboratory of Biopharmaceutical Preparation and DeliveryChinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China

The rare earth elements(REEs)extraction by chemical leaching from ion-adsorption type rare earth ores(IAREO)has led to serious ecological and environmental ***,demand for bioleaching is on the rise with the advantage of being *** one of the organic acids produced by biological metabolism,citric acid was used to leach REEs and explore the performance and *** results demonstrate that citric acid exhibits higher leaching efficiency(96.00%)for REEs at a relatively low concentration of 0.01 mol/L compared with(NH_(4))_(2)SO_(4)(84.29%,0.1 mol/L)and MgSO_(4)(83.99%,0.1 mol/L).Citric acid shows a preference for leaching heavy rare earth elements,with 99%leaching efficiency in IAREO,which shows higher capacity than(NH_(4))_(2)SO_(4)and MgSO_(4)(as inorganic leaching agents).Kinetic analysis indicates that the leaching process of REEs with citric acid is controlled by both the internal diffusion kinetics and chemical reaction kinetics,which is different from inorganic leaching *** Minteq calculations confirm that RE-Citrate is the main constituent of the extract solution in the leaching process of the IAREO,thereby enhancing the leaching efficiency of REEs from the *** suggests that citric acid may be used as a promising organic leaching agent for the environmentalfriendly extraction of REEs from IAREO.

关键词： Ion-adsorption type rare earth ores Rare earths Citric acid Complexation Organic acid Differential leaching

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High concentration of Ti^(3+)in C-TiO_(x)nanosheets boosting efficient photodegradation

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Science China(Technological Sciences) 2025年第3期68卷 156-166页

作者： Chongbei WU Xuan LI Haibin WANG Jiaxin TANG Shuai WEI Yuanyuan WU Aobing WANG Jizhou JIANG Hebei Key Laboratory of Man-machine Environmental Thermal Control Technology and Equipment Hebei Vocational University of Technology and EngineeringXingtai054000China School of Materials Science and Engineering Key Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationWuhan Institute of TechnologyWuhan430205China

Semiconductor photocatalysis holds significant promise for addressing dye-pollution in ***,the efficiency of photocatalytic water purification is constrained by the weak light absorption capacity and low active site distribution of *** a bottom-up approach,carbon-doped TiO_(x)(C-TiO_(x))nanosheets with high concentrations of Ti^(3+)active sites were fabricated by etching the Al element in Ti_(3)Ai C_(2)with H_(2)O_(2).Experimental evidence demonstrates that the optimal C-TiO_(x)nanosheets exhibit high activity for the photocatalytic degradation of methylene blue,achieving a degradation rate of 100%within 50 *** introduction of carbon into the C-TiO_(x)nanosheets induces a red shift in the absorption edge,boosting the migration of photo-generated charge ***,there is a significant correlation between the concentration of Ti^(3+)active sites and the density of oxygen vacancies in the C-TiO_(x)nanosheets,which synergistically influence the photocatalytic degradation performance of MB dye wastewater.

关键词： bottom-up strategies C-TiO_(x)nanosheets high-concentrations Ti^(3+) photocatalytic degradation

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A review of updated S-scheme heterojunction photocatalysts

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Journal of Materials Science & Technology 2024年第10期177卷 142-180页

作者： Fangyi Li Guihua Zhu Jizhou Jiang Lang Yang Fengxia Deng Arramel Xin Li School of Environmental Ecology and Biological Engineering Key Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationNovel Catalytic Materials of Hubei Engineering Research CenterWuhan Institute of TechnologyWuhan 430205China National Engineering and Technology Research Center for Development&Utilization of Phosphate Resources Kunming 650600China State Key Laboratory of Urban Water Resource and Environment School of EnvironmentHarbin Institute of TechnologyHarbin 150090China Nano Center Indonesia Jalan Raya PUSPIPTEKSouth TangerangBanten 15314Indonesia Institute of Biomass Engineering Key Laboratory of Energy Plants Resource and UtilizationMinistry of Agriculture and Rural AffairsSouth China Agricultural UniversityGuangzhou 510642China

Photocatalysis is a green and environmentally-friendly process that utilizes the ubiquitous intermittent *** date,an emerging S-scheme heterojunction across the intimately coupled heterojunction materials is proposed to surpass the efficiency of conventional Ⅱ-type and Z-type ***-more,S-scheme heterojunction photocatalysts with greatly improved photocatalytic performance have gained significant attention due to their fast charge carriers separation along with strong redox ability and stability,since its proposal in ***,a timely and comprehensive review is highly desired to cover the state-of-the-art *** by this idea,the review conveys the recent progress and provides new insights into further *** the conventional method,in this review,we im-plement a quantification model to outline current trends in S-scheme heterojunctions research as well as their *** overview begins with the fundamentals of four basic photocatalytic mechanisms,followed by its design ***,diverse characterization techniques used in the S-scheme heterojunctions are systematically summarized along with the modification strategies to boost photocat-alytic ***,the internal reaction mechanism and emerging applications have been reviewed,including water conversion,CO_(2) remediation,wastewater treatment,H_(2)0_(2) production,N_(2) fix-ation,*** sum up the review,we present several current challenges and future prospects of the S-scheme heterojunctions photocatalysts,aiming to provide indispensable platforms for the future smart design of photocatalysts.

关键词： S-scheme heterojunctions Photocatalysts Modification strategies Charge separation mechanism

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MXenes/CNTs-based hybrids:Fabrications,mechanisms,and modification strategies for energy and environmental applications

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Nano research 2024年第5期17卷 3429-3454页

作者： Jizhou Jiang Fangyi Li Lei Ding Chengxun Zhang Arramel Xin Li School of Environmental Ecology and Biological Engineering School of Chemistry and Environmental EngineeringKey Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationNovel Catalytic Materials of Hubei Engineering Research CenterWuhan Institute of TechnologyWuhan 430205China Nano Center Indonesia Jl.PUSPIPTEK Tangerang SelatanBanten 15314Indonesia Institute of Biomass Engineering Key Laboratory of Energy Plants Resource and UtilizationMinistry of Agriculture and Rural AffairsSouth China Agricultural UniversityGuangzhou 510642China

Emerging two-dimensional(2D)layered metal carbide and nitride materials,commonly termed MXenes,are increasingly recognized for their applications across diverse fields such as energy,environment,and *** the past few years,MXenes/carbon nanotubes(CNTs)-based hybrids have attracted extensive attention as an important catalyst in energy and environmental fields,due to their superior multifunctions and mechanical *** review aims to address the fabrication strategies,the identification of the enhancement mechanisms,and recent progress regarding the design and modification of MXenes/CNTs-based hybrids.A myriad of fabrication techniques have been systematically summarized,including mechanical mixing,spray drying,three-dimensional(3D)printing,self-assembly/in-situ growth,freeze drying,templating,hydrothermal methods,chemical vapor deposition(CVD),and ***,the identification of the enhancement mechanisms was thoroughly discussed from the two dimensions of theoretical simulations and in-situ ***,the recent advancements in profound applications of MXenes/CNTs-based hybrids have also been carefully revealed,including energy storage devices,sensors,water purification systems,and microwave *** also underscore anticipated challenges related to their fabrication,structure,underlying mechanisms,modification approaches,and emergent ***,this review offers insights into prospective directions and the future trajectory for these promising *** is expected that this review can inspire new ideas or provide new research methods for future studies.

关键词： MXenes/carbon nanotubes(CNTs)-based hybrids fabrication applications modification strategies

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Synthesis of Organic-Inorganic Hybrid Aluminum Hypophosphite Microspheres Flame Retardant and Its Flame Retardant research on Thermoplastic Polyurethane

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Journal of Wuhan University of Technology(Materials Science) 2024年第1期39卷 221-233页

作者：刘生鹏 XU Zhi ZHANG Xinyuan WEI Huan XIONG Yun DING Yigang HUANG Wenbo 许莉莉 Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education Key Laboratory for Green Chemical Process of Ministry of EducationSchool of Chemical Engineering and PharmacyWuhan Institute of TechnologyWuhan 430205China Hubei Three Gorges Laboratory Yichang 443007China School of Technology Materials Science and Engineering Wuhan Institute of TechnologyWuhan 430205China

Aluminum hypophosphite microspheres(AHP) were synthesized by hydrothermal method using NaH2PO2·H2O and AlCl3·6H2O as raw materials, and then the AHP microspheres were polymerized by surface polymerization of micro-nanospheres with cyclic cross-linked poly(cyclotriphosphazene-co-4,4'-sulfonyldiphenol)(PZS). A new organic-inorganic poly(phosphonitrile)-modified aluminum hypophosphite microspheres(PZS-AHP) were synthesized by encapsulation and applied to flame retardant thermoplastic polyurethane(TPU). The microstructure and chemical composition of the PZS-AHP microsphere were characterized by scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy and X-ray spectroscopy. The thermal stability of PZS-AHP microsphere was explored with thermogravimetric analysis. Thermogravimetric data indicate that the PZS-AHP microspheres have excellent thermal stability. The thermal and flame-retarding properties of the TPU composites were evaluated by thermogravimetric(TG), limited oxygen index tests(LOI), and cone calorimeter test(CCT). The TPU composite achieved vertical burning(UL-94) V-0 grade and LOI value reached 29.2% when 10 wt% PZS-AHP was incorporated. Compared with those of pure TPU, the peak heat release rate(pHRR) and total heat release(THR) of TPU/10%PZS-AHP decreased by 82.2% and 42.5%, respectively. The results of CCT indicated that PZS-AHP microsphere could improve the flame retardancy of TPU composites.

关键词： polyphosphazene thermoplastic polyurethane flame retardancy aluminum hypophosphite surface polymerization

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Interfacial B-O bonding modulated S-scheme B-doped N-deficient C_(3)N_(4)/O-doped-C_(3)N_(5) for efficient photocatalytic overall water splitting

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Chinese Chemical Letters 2025年第1期36卷 355-361页

作者： Entian Cui Yulian Lu Zhaoxia Li Zhilei Chen Chengyan Ge Jizhou Jiang Key Laboratory for Advanced Technology in Environmental Protection of Jiangsu Province Yancheng Institute of TechnologyYancheng 224051China School of Environmental Ecology and Biological Engineering Key Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationWuhan Institute of TechnologyWuhan 430205China

Photocatalytic overall pure water splitting is a promising method for generating green hydrogen energy under mild ***,this process is often hindered by sluggish electron-hole separation and *** address this,a step-scheme(S-scheme)B-doped N-deficient C_(3)N_(4)/O-doped C_(3)N_(5)(BN-C_(3)N_(4)/O-C_(3)N_(5))heterojunction with interfacial B-O bonds has been *** Pt and Co(OH)_(2) as co-catalysts,BN-C_(3)N_(4)/O-C_(3)N_(5) S-scheme heterojunction demonstrates significantly enhanced photocatalytic activity for overall pure water splitting under visible light,achieving H_(2) and O_(2) evolution rates of 40.12 and 19.62μmol/h,*** characterizations and experiments revealed the performance-enhancing effects of the enhanced built-in electric field and the interfacial B-O ***,the strengthened built-in electric field provides sufficient force for rapid interfacial electron ***,by reducing the transport energy barrier and transfer distance,the interfacial B-O bonds facilitate rapid recombination of electrons and holes with relatively low redox potential via the S-scheme charge-transfer route,leaving the high-potential electrons and holes available for H^(+)reduction and OH^(-)oxidation ***,the photocatalytic efficiency of BN-C_(3)N_(4)/O-C_(3)N_(5) S-scheme heterojunction was significantly improved,making it a promising approach for green hydrogen production through overall pure water splitting.

关键词： Interfacial B-O bonds BN-C_(3)N_(4) O-C_(3)N_(5) S-scheme heterojunction Water splitting

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Anchoring Pt nanoparticles and Ti_(3)C_(2)T_(x)MXene nanosheets on CdS nanospheres as efficient synergistic photocatalysts for hydrogen evolution

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Science China(Technological Sciences) 2022年第12期65卷 3020-3028页

作者： JIANG JiZhou XIONG ZhiGuo WANG HaiTao XIANG Kun WU PingXiu ZOU Jing School of Environmental Ecology and Biological Engineering School of Chemistry and Environmental EngineeringKey Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationNovel Catalytic Materials of Hubei Engineering Research CenterWuhan Institute of TechnologyWuhan 430205China Semiconductor Electronic Special Gas of Hubei Engineering Research Center Jingzhou 434000China

The development of a new-fashioned functional nanomaterial with an outstanding photocatalytic hydrogen evolution reaction(HER)activity under visible-light irradiation is a sustainable and promising strategy to cope with the increasingly serious global energy ***,an advanced ternary photocatalytic HER catalyst,in which the Pt nanoparticles and Ti_(3)C_(2)T_(x)nanosheets are synchronously anchored on the surface of CdS nanospheres(Ti_(3)C_(2)T_(x)/Pt@CdS),is elaborately constructed via acid etching,sel-freduction,and solvothermal ***,the synergistic promoting effect between Ti_(3)C_(2)T_(x)and Pt on the charge transfer of CdS effectively hinders the backtransfer of electrons to recombine with holes,resulting in a high-effective utilization of photoexcited *** obtained Ti_(3)C_(2)T_(x)/Pt@CdS possesses a superior photocatalytic HER activity compared to that of single active component *** work demonstrates the great potential of MXene materials in constructing high performance photocatalysts.

关键词： Pt nanoparticles Ti_(3)C_(2)T_(x)MXene CdS nanospheres synergistic catalytic effect photocatalytic HER

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Carbonitride MXene Ti_(3)CN(OH)_(x)@MoS_(2)hybrids as efficient electrocatalyst for enhanced hydrogen evolution

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Nano research 2023年第4期16卷 4656-4663页

作者： Jizhou Jiang Fangyi Li Saishuai Bai Yongjing Wang Kun Xiang Haitao Wang Jing Zou Jyh-Ping Hsu School of Environmental Ecology and Biological Engineering School of Chemistry and Environmental EngineeringKey Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationNovel Catalytic Materials of Hubei Engineering Research CenterWuhan Institute of TechnologyWuhan 430205China Department of Chemical Engineering “National Taiwan University”Taipei 10617

Renewable energy powered electrocatalytic water splitting is a promising strategy for hydrogen generation,and the design and development of high-efficiency and earth-abundant electrocatalysts for hydrogen evolution reaction(HER)are highly ***,MoS2 nanoflowers decorated two-dimensional carbonitride-based MXene Ti3CN(OH)x hybrids have been constructed by etching and post-hydrothermal *** electrochemical performance of the as-obtained Ti_(3)CN(OH)_(x)@MoS_(2)hybrids having a quasi core-shell structure is fascinating:An overpotential of 120 mV and a Tafel slope of 64 mV∙dec^(−1)can be delivered at a current density of 10 mA∙cm^(−2).And after 3,000 cyclic voltammetry cycles,it can be seen that there is no apparent *** the experimental results and density functional theory(DFT)calculations indicate that the synergetic effects between Ti_(3)CN(OH)x and MoS_(2)are responsible for the robust electrochemical HER *** electrons of-OH group in Ti_(3)CN(OH)x are transferred to MoS_(2),making the adsorption energy of the composite for H almost *** metallic Ti_(3)CN(OH)x is also beneficial to the fast charge transfer *** construction of MXene-based hybrids with optimal electronic structure and unique morphology tailored to the applications can be further used in other promising energy storage and conversion devices.

关键词： Ti_(3)CN(OH)x MoS_(2) hydrogen evolution reaction density functional theory(DFT)calculations

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Tandem asymmetric propargylic amination/carboxylative cyclization reaction to chiral 5-methylidene-2-oxazolidinones using CO_(2) as C1 synthon

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Science China Chemistry 2025年第4期68卷 1402-1411页

作者： Zheng Zhang Zhi-Hao Zhang Ying Sun Yun-Hao Tang Yi-Zhuo Yang Feng Zhou Jian Zhou State Key Laboratory of Petroleum Molecular&Process Engineering Shanghai Key Laboratory of Green Chemistry and Chemical ProcessesShanghai Engineering Research Center of Molecular Therapeutics and New Drug DevelopmentSchool of Chemistry and Molecular EngineeringEast China Normal UniversityShanghai 200062China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

We report a tandem asymmetric Cu-catalyzed propargylic amination(ACPA)/Ag-catalyzed carboxylative cyclization(SCC)with CO_(2) to 5-methylidene-2-oxazolidinones;even with tetrasubstituted *** varying pyridine bisoxazoline(PYBOX)ligands;a general and highly enantioselective ACPA of unprecedentedly broad scope of secondary propargylic acetates and primary amines is ***α-aryl andα-aliphatic propargylic acetates could react with either aromatic or aliphatic primary amines to give the corresponding N-aryl or N-aliphatic ethynylamines withα-aliphatic orα-aryl groups in over 90%ee for use in the next *** key to developing this one-pot sequence is to use a chelator triethylenetetramine(TETA)to mask the copper ion;to avoid its negative effect on Ag-catalyzed cyclization;whilst releasing PYBOX to activate the silver *** the methylidene moiety;these oxazolidinones can be readily *** value of the sequence is further shown by the catalytic enantioselective total synthesis of(–)-cytoxazone and the potent ezetimibe analogue.

关键词： CO_(2) 2-oxazolidinone tandem sequence propargylic amination carboxylative cyclization

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