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A-site assisted perovskite crystallization via ion-exchange MOFs for high efficient and stable perovskite solar cells

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Journal of Energy Chemistry 2024年第6期93卷 436-442,I0011页

作者： Xingrui Zhang Jian Zhang Wei Wang Boyuan Hu Yayu Dong Debin Xia Kaifeng Lin Yulin Yang MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina

Here,a novel strategy is proposed targeting the volatility of A-site cations and the disordered arrangement of perovskite grains through employing Cs~+contained metal-organic frameworks In-aip(Cs)obtained by ion-exchange and crystalline *** forces between Cs-O atoms split the pore channels of the pristine In-aip,endowing In-aip(Cs)with multidimensional charge transport channels,In addition,the partially freed Cs~+in the interlayer compensates for the vacancy of A-site cations during the perovskite preparation *** In-aip(Cs)modified perovskite films have a flat morphology,large grains and excellent optoelectronic *** from the high-quality perovskite films and faster charge extraction,the In-aip(Cs)-modified PSCs achieved a champion PCE of 23.03%,superior to the In-aip-modified(22.29%)and control device(21.13%),More importantly,the unencapsulated PSCs modified with In-aip(Cs)exhibited outstanding humidity and thermal *** a period of almost 1000 h,the unencapsulated In-aip(Cs)-modified device retained 85%of its initial PCE after storing in a glove box at 85℃,and retained 87%of the primary PCE upon storage in ambient condition at 25℃under a humidity of 40%.

关键词： Metal-organic frameworks PSCs Stability Defect passivation

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Macroscopic polarization enhancement boosting piezo-photocatalytic performance via Nb-doping on B-site of Bi_(4)Ti_(3)O_(12)nanosheets

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Journal of Advanced Ceramics 2024年第4期13卷 437-446页

作者： Hongjian Yu Xindong Wei Min Wang Yan Zhang Zheng Wu Fan Guo Jie Han School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225002China Engineering Research Center of Ministry of Education for Geological Carbon Storage and Low Carbon Utilization of Resources Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid WastesNational Laboratory of Mineral MaterialsSchool of Material Sciences and TechnologyChina University of Geosciences(Beijing)Beijing 100083China School of Environmental and Chemical Engineering Xi’an Key Laboratory of Textile Chemical Engineering AuxiliariesXi'an Polytechnic UniversityXi'an 710048China

The development of a high-performance ferroelectric piezo-photocatalyst is an efficient strategy for advancing sustainability within the environmental and energy ***,a major challenge lies in the creation of a strong polarized electric field that can effectively hinder charge recombination,both within the bulk and on the surface of ***,we synthesize a series of Nb-doped Bi_(4)Ti_(3)O_(12)nanosheets via a facile one-pot hydrothermal method to achieve synergistically enhanced piezo-photocatalytic performance in CO_(2)reduction and pollutant *** optimized doped Bi_(4)Ti_(3)O_(12)demonstrates remarkable efficiency in the conversion of CO_(2)into CO,with a high production rate of 72.7μmol∙g−1∙h−1 without using co-catalysts or any sacrificial agent,surpassing the performance of unmodified Bi_(4)Ti_(3)O_(12)by up to 4.69 ***,our catalyst demonstrates ultra-fast piezo-photocatalytic degradation of organic pollutant Rhodamine B(RhB)at low concentrations and exceptional piezo-photocatalytic activity at high concentrations,outperforming most previously reported state-of-the-art *** systematic corroboration of catalyst characterization and experimental analysis reveals that the synergistic effect arises from the amplified macroscopic polarization induced by lattice distortion caused by the larger Nb ions,thereby improving piezo-photocatalytic *** research thus offers valuable insights into the direct design and fabrication of versatile catalytic systems,with applications spanning CO_(2)valorization and beyond.

关键词： CO_(2)reduction dye degradation piezo-photocatalysis Nb-doped Bi_(4)Ti_(3)O_(12) macroscopic polarization regulation

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Artificial intelligence for chemical engineering

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Green chemical engineering 2025年第2期6卷 137-138页

作者： Zhen Song Weifeng Shen Zhiwen Qi JoséMaría Ponce Ortega State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai200237China School of Chemistry and Chemical Engineering Chongqing UniversityChongqing400044China Chemical Engineering Department Universidad Michoacana de San Nicolás de HidalgoFrancisco J.Múgica S/NCiudad UniversitariaMoreliaMichoacán58060Mexico

In recent years,the growing popularity of artificial intelligence(AI),enabled by the rapid evolution of computing power and increasing accessibility of advanced algorithms,has brought transformative changes across various science and engineering fields,transitioning the scientific research paradigms to the AI-or data-driven era.A landmark event of this era could be the awarding of the 2024 Nobel Prizes in both Physics and Chemistry to AI pioneers John Hopfield and Geoffrey Hinton for their formulation of brain-inspired artificial neural networks,and Demis Hassabis and John Jumper for their development of AlphaFold,which predicts 3D protein structures from amino acid *** engineering,a widely acknowledged complex intersection of chemistry,physics,and engineering,is no exception in this transitioning era.

关键词： artificial intelligence ai enabled nobel prizes scientific research paradigms protein structure prediction computational chemistry neural networks chemical engineering artificial intelligence

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Controllable construction of ionic frameworks for multi-site synergetic enhancement of CO_(2) capture

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Frontiers of chemical Science and engineering 2024年第1期18卷 37-49页

作者： Yuke Zhang Hongxue Xu Haonan Wu Lijuan Shi Jiancheng Wang Qun Yi State Key Laboratory of Clean and Efficient Coal Utilization Taiyuan University of TechnologyTaiyuan 030024China School of Chemical Engineering and Pharmacy Wuhan Institute of TechnologyWuhan 430205China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030024China

CO_(2) capture is one of the key technologies for dealing with the global warming and implementing lowcarbon development *** emergence of ionic metal-organic frameworks(I-MOFs)has diversified the field of porous materials,which have been extensively applied for gas adsorption and *** this work,amino-functionalized imidazolium ionic liquid as organic monodentate ligand was used for one step synthesis microporous Cu based *** tuning of the adsorption properties was obtained by incorporating aromatic anions,such as phenoxy,benzene carboxyl,and benzene sulfonic acid group into the I-MOFs via a facile ion exchange *** new I-MOFs showed high thermal stability and high capacity of 5.4 mmol·g^(-1) under atmospheric conditions for selective adsorption of CO_(2).The active sites of microporous Cu-MOF are the ion basic center and unsaturated metal,and electrostatic attraction and hydroxyl bonding between CO_(2) and modified functional sulfonic groups are responsible for the *** work provides a feasible strategy for the design of I-MOF for functional gas capture.

关键词： carbon dioxide capture micropores ionic liquids multi-site synergism ionic metal-organic frameworks

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Structure regulating of metal clusters in carbonized metallic organic frameworks for high-efficient microwave absorption via tuning interaction strength between metals and ligands

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Nano Research 2024年第3期17卷 1699-1709页

作者： Chang Sun Kun-Yan Zhao Ming-Lu Huang Cheng-Long Luo Xu-Dong Chen Ming Wang School of Chemistry and Chemical Engineering Chongqing Key Laboratory of Soft-Matter Material Chemistry and Function ManufacturingSouthwest UniversityChongqing 400715China Jieyang Branch of Chemistry and Chemical Engineering Guangdong Laboratory(Rongjiang Laboratory) Jieyang 515200China

Carbonized metallic organic frameworks(CMOF)have been attracting attention in microwave absorption(MA)research area because of their diverse structures,tunable compositions,and rich ***,structure regulation on metal clusters in CMOF is achieved by tuning the interaction strength between metals and ligands to enhance microwave absorption *** to relatively weak interaction among copper cations and ligands,copper nanoclusters(CuNC)can be uniformly formed and embedded within the cobalt/zinc(Co/Zn)***,copper cations are added to the Co/Zn bimetallic zeolitic imidazolate frameworks(ZIFs).Secondly,the CMOF composite particles with CuNCs(CuNCs/CoZn-CMOF)were developed by a pyrolysis *** CuNCs/CoZn-CMOF with an appropriate amount of CuNCs can harmonize both dielectric and magnetic *** a result,the minimum reflection loss(RLmin)reaches–45.1 dB at a matching thickness of 2.30 mm and the effective absorption bandwidth(EAB)is 8.80 GHz at a thickness of 3.10 *** broadband response to electromagnetic waves is attributed to interfacial polarization at CuNCs surface and heterogeneous interfaces,impedance matching and multiple scattering of electromagnetic *** study provides a feasible method to develop CMOF microwave absorption materials with high EAB values.

关键词： heterogeneous interface carbonized metallic organic frameworks microwave absorption interfacial polarization

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Recent advances in cycloaddition of CO_(2) with epoxides:halogen-free catalysis and mechanistic insights

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Frontiers of chemical Science and engineering 2023年第12期17卷 1879-1894页

作者： Jiaxin Li Chengguang Yue Wenhao Ji Bangman Feng Mei-Yan Wang Xinbin Ma School of Chemical Engineering and Technology Key Laboratory for Green Chemical Technology of Ministry of EducationCollaborative Innovation Center of Chemical Science and EngineeringTianjin UniversityTianjin 300072China Zhejiang Institute of Tianjin University Ningbo Key Laboratory of Green Petrochemical Carbon Emission Reduction Technology and EquipmentNingbo 315200China

The atom-economical cycloaddition of CO_(2) with epoxides to synthesize cyclic carbonates is a promising route for valuable utilization of CO_(2).Halogenide such as alkali metal halides and quaternary ammonium salt have been developed as the efficient ***,the spilled halogen causes equipment corrosion and affects the product *** address these concerns,the halogen-free cycloaddition of CO_(2) with epoxides has always been *** this review,we systematically discussed the halogen-free catalysis for cycloaddition of CO_(2) with epoxides from the mechanistic insights,aiming to promote the development of efficient halogen-free *** types of catalysts,i.e.,alternatives of halogen nucleophiles for epoxide activation,and bifunctional catalysts with Lewis acid-base sites for synergistic activation of CO_(2) and epoxides are summarized and ***,metal oxides as the potential halogen-free catalysts are highlighted due to their flexible acid-base sites for synergistic activation of CO_(2) and epoxides,facile preparation,and low cost.

关键词： carbon dioxide halogen-free catalysis cyclic carbonate mechanistic insight

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Investigation of mass transfer model of CO_(2) absorption with Rayleigh convection using multi-relaxation time lattice Boltzmann method

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Chinese Journal of chemical engineering 2022年第10期50卷 130-142页

作者： Longyun Zheng Kai Guo Hongwei Cai Bo Zhang Hui Liu Chunjiang Liu School of Chemical Engineering and Technology Tianjin UniversityTianjin 300072China State Key Laboratory of Chemical Engineering Tianjin UniversityTianjin 300072Chin

CO_(2) absorption into absorbents is a widely used method to reduce carbon emissions,in which the concentration gradient near the gas-liquid interface may induce Rayleigh convection(RC).Once RC occurs,the mass transfer rate will be significantly ***,it is necessary to explore the mass transfer enhancement mechanism further and develop a penetration/surface divergence hybrid mass transfer *** this study,we conduct research on the process of CO_(2) absorption into ethanol with ***,we use a multi-relaxation time lattice Boltzmann method to simulate the absorption process and obtain the flow and concentration *** we also verify the reliability of the numerical simulation results by comparing with the experimental ***,we analyze the characteristics of non-uniform flow and concentration fields in ***,we divide the near-interface region into diffusion-dominated and convection-dominated mass transfer zones by checking whether the horizontal average velocity is greater than 1.0×10^(-4) m·s^(-1).Furthermore,based on the differences in mass transfer mechanisms of the aforementioned two zones,we propose a penetration/surface divergence hybrid model to predict the instantaneous mass transfer *** prediction results demonstrate that the hybrid model can precisely predict the instantaneous mass transfer coefficient of the entire CO_(2) absorption *** proposed hybrid model provides a promising way to deal with the complex mass transfer problems with non-uniform flow and concentration fields.

关键词： Carbon dioxide Absorption Rayleigh convection Numerical simulation multiple-relaxation-time orgeneralized lattice Boltzmannmodel(MRT-LBM) Mass transfer

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Bead-like cobalt-nitrogen co-doped carbon nanocage/carbon nanofiber composite:A high-performance oxygen reduction electrocatalyst for zinc-air batteries

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Nano Research 2023年第1期16卷 545-554页

作者： Bo Zhang Yige Zhao Lu Li Yukun Li Jin Zhang Guosheng Shao Peng Zhang State Center for International Cooperation on Designer Low-carbon and Environmental Materials(CDLCEM) School of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China State Key Laboratory of Chemical Resource Engineering Beijing Key Laboratory of Electrochemical Process and Technology for MaterialsBeijing University of Chemical TechnologyBeijing 100029China

Proper regulation of metal-nitrogen carbon(M-N-C)materials derived from zeolitic imidazolate frameworks(ZIFs)is essential to enhance the oxygen reduction reaction(ORR)***,most of the reports focus on the component regulation,and the structure regulation of ZIFs-derived M-N-C materials by a simple preparation method has been barely ***,using a one-step electrospinning method with subsequent pyrolysis,we have prepared a bead-like cobalt-nitrogen co-doped carbon nanocage/carbon nanofiber(Co-N-C/CNF)composite electrocatalyst with the porous carbon nanocages arranged one by one in the highly conductive carbon *** from the fully exposed active sites and improved conductivity,the Co-NC/CNF catalyst exhibits an excellent ORR performance even surpassing the commercial Pt/C *** functional theory(DFT)results demonstrate that the CoNP-N1-C2 active sites on Co-N-C/CNF make the core contribution to the improvement of ORR ***,the zinc-air battery(ZAB)based on the Co-N-C/CNF catalyst also shows outstanding discharge *** study provides a new strategy for the preparation and structural design for ZIFs-derived M-N-C materials as efficient ORR catalysts.

关键词： bead-like structure carbon nanocages electrospinning technology oxygen reduction reaction zinc−air battery

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A critical review on direct catalytic hydrogasification of coal into CH_(4):catalysis process configurations,evaluations,and prospects

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International Journal of Coal Science & technology 2024年第3期11卷 51-85页

作者： Shuai Yan Jun Feng Shenfu Yuan Zihong Xia Fengshuang Han Xuan Qu Jicheng Bi School of Materials and Chemical Engineering Ningbo University of TechnologyNingbo315211ZhejiangChina Zhejiang Institute of Tianjin University Ningbo315201ZhejiangChina State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan030001China School of Chemical Science and Engineering Key Laboratory of Medicinal Chemistry for Natural ResourceMinistry of EducationNational Center for Experimental Chemistry and Chemical Engineering Education DemonstrationYunnan Provincial Key Laboratory of Carbon Neutral and Green Low-Carbon TechnologyYunnan UniversityKunming650091China Department of Energy and Chemical Engineering East China University of Science and TechnologyShanghai200237China

Coal catalytic hydrogasification(CCHG)is a straightforward approach for producing CH_(4),which shows advantages over the mature coal-to-CH_(4) technologies from the perspectives of CH_(4) yield,thermal efficiency,and CO_(2) *** core of CCHG is to make carbon in coal convert into CH_(4) efficiently with a *** the past decades,intensive research has been devoted to catalytic hydrogasification of model carbon(pitch coke,activated carbon,coal char).However,the chemical process of CCHG is still not well understood because the coal structure is more complicated,and CCHG is a combination of coal catalytic hydropyrolysis and coal char catalytic *** review seeks to shed light on the catalytic process of raw coal during *** configuration of suitable catalysts,operating conditions,and feedstocks for tailoring CH_(4) formation were identified,and the underlying mechanisms were *** on these results,the CCHG process was evaluated,emphasizing pollutant emissions,energy efficiency,and reactor ***,the opportunities and strategic approaches for CCHG under the restraint of carbon neutrality were highlighted by considering the penetration of“green”H2,biomass,and CO_(2) into *** investigations from our laboratories demonstrated that the integrated CCHG and biomass/CO_(2) hydrogenation process could perform as an emerging pathway for boosting CH_(4) production by consuming fewer fossil fuels,fulfilling the context of green *** work not only provides systematic knowledge of CCHG but also helps to guide the efficient hydrogenation of other carbonaceous resources such as biomass,CO_(2),and coal-derived wastes.

关键词： Coal gasification Catalytic hydrogasification Methane Pressurized fluidized bed

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An efficient and safe platform based on the tube-in-tube reactor for implementing gas-liquid processes in flow

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Green chemical engineering 2023年第3期4卷 251-263页

作者： Caijin Zhou Bingqi Xie Junxin Chen Yiwei Fan Jisong Zhang State Key Laboratory of Chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China Engineering Research Center of Advanced Manufacturing Technology for Fine Chemicals College of Chemical EngineeringFuzhou UniversityFuzhou350116China

Recently,the continuous tube-in-tube reactor based on the Teflon AF membrane is emerging as a powerful toolkit for accelerating gas-liquid mass transfer and reaction *** of its large gas-liquid interfacial area and short mass transfer distance,the reactor can allow a fast gas-liquid mass transfer without direct contact between gas and liquid phases,offering an efficient and safe platform for implementing gas-liquid reaction and rapid determination of gas-liquid *** this review,a detailed description and construction method of this reactor are ***,the recent advancements of the tube-in-tube reactor in fundamental studies and practical applica-tions in gas-involved chemical reactions and biosynthetic processes are ***,a perspective on future potential applications of such flow reactors is provided.

关键词： Tube-in-tube reactor Gas-liquid mass transfer rate Biosynthetic process Gas-liquid reaction

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