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Introducing cerium into TiO_(2)@MnO_(x) hollow-sphere structure for highly active photothermocatalysis degradation of ethyl acetate and NO under H_(2)O at low temperature

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Journal of Rare Earths 2024年第5期42卷 889-898,I0003页

作者： Yinming Fan Yanhong Wang Morui Li Yinian Zhu Zongqiang Zhu Shengpeng Mo Lihao Zhang Shen Tang Xiaobin Zhou Yanping Zhang Collaborative innovation Center for Water pollution control and Water Safety in Karst Area Guilin University of TechnologyGuilin541004China The guangxi key laboratory of theory and technology for environmental pollution control.Guilin University of technology.Guilin 541004China Technical innovation Center of Mine Geological environmental Restoration Engineering in Southern Karst Area Nanning530022China

The CeO_(2)-TiO_(2)@MnO_(x) catalyst was prepared by the co-precipitation method and applied to the photothermocatalysis system of ethyl acetate and NO simultaneous degradation under H_(2)O at low temperature,which introduced Ce into TiO_(2)@MnO_(x) hollow sptrera *** optimum TiO_(2)/MnO_(x) ratio and Ce introducing amount were obtained in the *** of them,the NO and ethyl acetate conversion percentage of TiO_(2)@MnO_(x)(n_(Mn):n_(Ti)=40:40)is 74%and 62%at 240℃,***_(2)-TiO_(2)@MnO_(x)(n_(Mn):n_(Ce)=1:1)exhibits the best catalytic performance,its efficiency for NO conversion is 83%and the conversion of ethyl acetate reaches 72%at 240℃.In addition,it is confirmed that the Cedoped nanocomposites have more uniform dispersion through various characterization and analysis ***,these catalysts have a large specific surface area as well as a large number of surface-active oxygen and oxygen *** can further improve the catalytic performance based on the adjusted ratio of active ***,this work investigated the relationship between multi-metal interactions and catalytic performance in the presence of H_(2)***,the possible reaction pathways for the simultaneous removal of NO and ethyl acetate were explored in our system.

关键词： Photothermocatalysis Ethyl acetate NO Low temperature H_(2)O Rare earths

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Prediction model on hydrolysis kinetics of phthalate monoester:A density functional theory study

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Journal of environmental sciences 2024年第1期135卷 51-58页

作者： Tong Xu Jingwen Chen Deming Xia Weihao Tang Jiansheng Cui Chun Liu Shuangjiang Li College of environmental science and Engineering Hebei University of Science and TechnologyShijiazhuang 050000China key laboratory of Industrial Ecology and environmental Engineering(Ministry of education) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China National-Regional Joint Engineering Research Center for Soil pollution control and Remediation in South China Guangdong Key Laboratory of Integrated Agro-environmental Pollution Control and ManagementInstitute of Eco-environmental and Soil SciencesGuangdong Academy of SciencesGuangzhou 510650China

As primary degradation products of phthalate esters,phthalate monoesters(MPEs)have been widely detected in various aquatic environments and drawn growing toxicological *** kinetics that is of importance for assessing environmental persistence of chemicals remain elusive for ***,kinetics of base-catalyzed and neutral hydrolysis for 18 MPEs with different leaving groups was investigated by density functional theory *** indicate that MPEs with leaving groups having p Kaofkey factors determining the hydrolysis *** work may lay a theoretical foundation for better understanding the chemical process that governs MPE persistence in aquatic environments.

关键词： Phthalate monoesters Phthalate esters Hydrolysis Density functional theory Quantitative structure-activity relationship

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Fabrication of La,Ce co-doped ZnO nanorods for improving photodegradation of methylene blue

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Journal of Rare Earths 2024年第1期42卷 76-83,I0003页

作者： Erfan Hakim Azmal Zaid Jin-Chung Sin Sze-Mun Lam Abdul Rahman Mohamed School of Chemical Engineering Universiti Sains Malaysia(USM)14300Nibong TebalPenangMalaysia College of environmental science and Engineering Guilin University of TechnologyGuilin541004China guangxi key laboratory of theory and technology for environmental pollution control Guilin University of TechnologyGuilin541004China Collaborative innovation Center for Water pollution control and Water Safety in Karst Area Guilin University of TechnologyGuilin541004China Faculty of Engineering and Green technology Universiti Tunku Abdul RahmanJalan UniversitiBandar Barat31900KamparPerakMalaysia

La,Ce co-doped ZnO nanorods(ZnLC)were synthesized through a one-step solvothermal *** photocatalysts were characterized by X-ray diffraction,Raman spectroscopy,field-emission scanning electron microscopy,energy dispersive X-ray,transmission electron microscopy,UV-vis diffuse reflectance spectroscopy and photo luminescence *** La and Ce doping enhanced the visible light absorption ability of ZnLC and a red shift was detected for *** simulated solar light irradiation,the ZnO doped with 3 at%La and 1 at%Ce(ZnLC1)degrades methylene blue(MB)more effectively than those of pure ZnO,La-doped ZnO(ZnL)and commercially available *** improved photocatalytic performance of ZnLC1 can be attributed to the high charge separation efficiency as demonstrated by the photoluminescence ***,the photocatalytic experiments reveal that several parameters have their own impact on the MB *** a variety of radical scavengers,it is discovered that superoxide anion radical plays a crucial role in the degradation of *** ZnLC1 is also reused several times without noticeable decrease of photoactivity,indicating that it has a substantial potential for environmental remediation applications.

关键词： ZnO Lanthanum Cerium Co-doping Photodegradation Rare earths

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Molecular-level proton acceptor boosts oxygen evolution catalysis to enable efficient industrial-scale water splitting

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Green Energy & Environment 2024年第2期9卷 344-355页

作者： Yaobin Wang Qian Lu Xinlei Ge Feng Li Le Chen Zhihui Zhang Zhengping Fu Yalin Lu Yang Song Yunfei Bu Jiangsu Collaborative innovation Center of Atmospheric Environment and Equipment technology(CICAEET) Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control(AEMPC)UNIST-NUIST Energy and Environment Jointed Lab(UNNU)School of Environmental Science and TechnologyNanjing University of Information Science and Technology(NUIST)219 NingliuNanjing210044China laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative MaterialsFudan University220 HandanShanghai200433China Jiangsu key laboratory of Advanced Materials and technology School of Petrochemical EngineeringChangzhou University1 GehuChangzhou213164China Anhui laboratory of Advanced Photon science and technology University of Science and Technology of China(USTC)96 JinzhaiHefeiAnhui 230026China School of Chemistry and Chemical Engineering Nanjing University of Science and Technology200 Xiaolingwei210094China

Industrial water splitting has long been suppressed by the sluggish kinetics of the oxygen evolution reaction(OER),which requires a catalyst to be ***,we propose a molecular-level proton acceptor strategy to produce an efficient OER catalyst that can boost industrial-scale water ***-level phosphate(-PO_(4))group is introduced to modify the surface of PrBa_(0.5)Ca_(0.5)Co_(2)O_(5)+δ(PBCC).The achieved catalyst(PO_(4)-PBCC)exhibits significantly enhanced catalytic performance in alkaline *** on the X-ray absorption spectroscopy results and density functional theory(DFT)calculations,the PO_(4)on the surface,which is regarded as the Lewis base,is the key factor to overcome the kinetic limitation of the proton transfer process during the *** use of the catalyst in a membrane electrode assembly(MEA)is further evaluated for industrial-scale water splitting,and it only needs a low voltage of 1.66 V to achieve a large current density of 1 A cm^(-2).This work provides a new molecular-level strategy to develop highly efficient OER electrocatalysts for industrial applications.

关键词： Oxygen evolution reaction Nanofiber Water splitting Proton acceptor Perovskite

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Highly selective and efficient photocatalytic NO removal:Charge carrier kinetics and interface molecular process

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Nano Research 2024年第3期17卷 1003-1026页

作者： Huan Shang Hongbao Jia Pengpeng Li Hao Li Wenbin Zhang Shuangjun Li Qing Wang Shuning Xiao Ding Wang Guisheng Li Dieqing Zhang School of Materials and Chemistry University of Shanghai for Science and TechnologyShanghai 200093China The education Ministry key Lab of Resource Chemistry Joint International Research Laboratory of Resource Chemistry of Ministry of EducationShanghai Key Laboratory of Rare Earth Functional Materialsand Shanghai Frontiers Science Center of Biomimetic CatalysisShanghai Normal UniversityShanghai 200234China School of environmental science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China

The widespread nitrogen oxides(NOx,mainly in NO)in the atmosphere have threatened human health and ecological *** dilute NO(ppb)is difficult to efficiently remove via the traditional process due to its characteristics of low concentration,wide range,large total amount,*** can utilize solar energy to purify NO pollutants under mild conditions,but its application is limited due to the low selectivity of nitrate and poor activity of NO *** underlying reason is that the interface mechanism of NO oxidation is not clearly understood,which leads to the inability to accurately regulate the NO oxidation ***,the recent advances in the photocatalytic oxidation of NO are ***,the common strategies to effectively regulate carrier dynamics such as morphology control,facet engineering,defect engineering,plasma coupling,heterojunction and single-atom catalysts are ***,the progress of enhancing the adsorption and activation of reactants such as NO and O_(2) during NO oxidation is described in detail,and the corresponding NO oxidation mechanisms are ***,the challenges and prospects of photocatalytic NO oxidation are presented in term of nanotechnology for air pollution *** review can shed light on the interface mechanism of NO oxidation and provide illuminating information on designing novel catalysts for efficient NOx control.

关键词： nitrogen oxide(NO)oxidation photocatalysis NO/O_(2)activation charge carrier kinetics interfacial mechanism

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Photo-piezoelectric synergistic degradation of typical volatile organic compounds on BaTiO_(3)

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Chinese Chemical Letters 2022年第1期33卷 410-414页

作者： Qin Liu Weina Zhao Zhimin Ao Taicheng An Guangzhou key laboratory of environmental Catalysis and pollution control Guangdong Key Laboratory of Environmental Catalysis and Health Risk ControlSchool of Environmental Science and EngineeringInstitute of Environmental Health and Pollution ControlGuangdong University of TechnologyGuangzhou 510006China

Explore the photo-piezoelectric synergistic micro-mechanism by density functional theory(DFT)calculations at the electronic and atomic level is *** this work,to understand the synergistic mechanism,atomic and electronic properties of typical piezoelectric and photocatalytic material BaTiO_(3)were initially investigated with different ***,the adsorption of volatile organic compounds(VOCs)on the BaTiO_(3)(001)surface was determined during the piezoelectric *** addition,the relationship between deformation ratio,the electronic structure and adsorption energy was understood in the deformation ratio range of 7%-12%for the optimal catalytic *** results of charge density differences and Born effective charge reveal the synergistic mechanism of piezoelectric *** built-in electric field formed by polarization results in the enhanced separation of charges,which makes the surface charges aggregation,enhancing the adsorption of VOCs,and benefiting the subsequent photocatalytic *** work can provide significant theoretical guidance for the piezoelectric photocatalytic degradation of pollutants with the optimal strain range.

关键词： Photocatalysis Photo-piezoelectric synergistic Polarization Charge separation BaTiO_(3) Volatile organic compounds(VOCs)

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Study of the Binding Mode of Quaternary Ammonium Cationic Surfactant to Firefly Luciferase and the Prediction of Binary Mixture Toxicity

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Chinese Journal of Structural Chemistry 2020年第6期39卷 1167-1177页

作者：莫凌云马文孔松覃礼堂梁延鹏代俊锋刘树深 College of environmental science and Engineering Guilin University of TechnologyGuilin 541004China guangxi key laboratory of environmental pollution control theory and technology Guilin University of TechnologyGuilinGuangxi 541004China guangxi key laboratory of environmental pollution control theory and technology for science and education combined with science and technology innovation base Guilin University of TechnologyGuilin 541004China key laboratory of Yangtze River Water Environment Ministry of EducationCollege of Environmental Science and EngineeringTongji UniversityShanghai 200092China

The wide use of quaternary ammonium cationic surfactants(QACs)results in their release into the *** surfactants have significant ***,existing toxicity data on QACs are still lacking,especially regarding the joint toxic effects of their *** computer simulation technology,molecular docking technology is commonly used for studying the mode of action of receptors docking with *** research of QACs mixture interaction is relatively rare,and the binding mode of QACs is *** this study,molecular docking technology was applied to explore the QAC binding mode,and the concentration addition(CA)and independent action(IA)models were applied for predicting the mixture *** luciferase(FLuc)was used as a macromolecular receptor,and five typical QACs:benzalkonium bromide(BLB),tetraethylammonium bromide(TLB),N,N,N-trimethyl-1-tetradecyl ammonium bromide(CTE),tetrabutylammonium chloride(TAC),and dodecyltrimethylammonium chloride(DTC)were used as small molecule *** docking technology was used to investigate the binding mode of macromolecules and small *** luminescence inhibitory effects of individual compounds and binary mixture on FLuc were determined by microplate toxicity assay of *** prediction of mixture toxicity was performed by CA and *** results showed that the relative toxicity follows:TLB

关键词： molecular docking firefly luciferase binding mode CA IA

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The missing base molecules in atmospheric acid-base nucleation

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National science Review 2022年第10期9卷 196-208页

作者： Runlong Cai Rujing Yin Chao Yan Dongsen Yang Chenjuan Deng Lubna Dada Juha Kangasluoma Jenni Kontkanen Roope Halonen Yan Ma Xiuhui Zhang Pauli Paasonen Tuukka Pet?j? Veli-Matti Kerminen Yongchun Liu Federico Bianchi Jun Zheng Lin Wang Jiming Hao James N.Smith Neil M. Donahue Markku Kulmala Douglas R.Worsnop Jingkun Jiang Center for Atmospheric Particle Studies Carnegie Mellon University Department of Chemistry Carnegie Mellon University Aerodyne Research Inc. State key Joint laboratory of Environment Simulation and pollution control School of Environment Tsinghua University Institute for Atmospheric and Earth System Research/Physics Faculty of Science University of Helsinki Aerosol and Haze laboratory Beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical Technology Collaborative innovation Center of Atmospheric Environment and Equipment technology Nanjing University of Information Science and Technology laboratory of Atmospheric Chemistry Paul Scherrer Institute Center for Joint Quantum Studies and Department of Physics School of Science Tianjin University key laboratory of Cluster science Ministry of Education of China School of Chemistry and Chemical Engineering Beijing Institute of Technology Shanghai key laboratory of Atmospheric Particle pollution and Prevention (LAP3) Department of Environmental Science and Engineering Fudan University Chemistry Department University of California

Transformation of low-volatility gaseous precursors to new particles affects aerosol number concentration,cloud formation and hence the *** clustering of acid and base molecules is a major mechanism driving fast nucleation and initial growth of new particles in the ***,the acid-base cluster composition,measured using state-of-the-art mass spectrometers,cannot explain the measured high formation rate of new *** we present strong evidence for the existence of base molecules such as amines in the smallest atmospheric sulfuric acid clusters prior to their detection by mass *** demonstrate that forming(H2SO4)1(amine)1is the rate-limiting step in atmospheric H2SO4-amine nucleation and the uptake of(H2SO4)1(amine)1is a major pathway for the initial growth of *** proposed mechanism is very consistent with measured new particle formation in urban Beijing,in which dimethylamine is the key base for H2SO4nucleation while other bases such as ammonia may contribute to the growth of larger *** findings further underline the fact that strong amines,even at low concentrations and when undetected in the smallest clusters,can be crucial to particle formation in the planetary boundary layer.

关键词： acid-base nucleation aerosol new particle formation polluted urban environment

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Fe(Ⅱ)-mediated transformation of schwertmannite associated with calcium from acid mine drainage treatment

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Journal of environmental sciences 2023年第4期126卷 612-620页

作者： Cong Fan Chuling Guo Wei Chen Guining Lu Yu Shen Zhi Dang National Research base of Intelligent Manufacturing Service Chongqing Technology and Business UniversityChongqing 400067China School of Environment and Energy South China University of TechnologyGuangzhou 510006China The key laboratory of pollution control and Ecosystem Restoration in Industry Clusters Ministry of EducationSouth China University of TechnologyGuangzhou 510006China Chongqing key laboratory of environmental Materials and Remediation Technologies Chongqing University of Arts and SciencesChongqing 402160China

Schwertmannite is an important Fe(Ⅲ)-oxyhydroxysulfate in acid mine drainage (AMD) polluted areas and its stability depends on surrounding environmental factors and previously bound *** treatment and neutralization of AMD normally involve the use of lime,which leads to the discharge of abundant Ca in the mining *** an environmental disturbance brings up an important and less considered problem of how the reductive transformation of schwertmannite associated with coexisting Ca ***,the Fe(Ⅱ)-mediated transformation of Ca-adsorbed schwertmannite and subsequent Ca repartitioning behaviors were *** showed that adsorbed Ca had a weak inhibitory effect on Fe(Ⅱ)-mediated schwertmannite *** of SO_(4)2-and SEM images both indicated that transformation rates of schwertmannite decreased under the influence of adsorbed *** patterns indicated that adsorbed Ca altered schwertmannite transformation pathways and product compositions upon treatment with 0.4 mmol/L Fe(Ⅱ).The end products of Sch notably contained both goethite and lepidocrocite;however,transformation products of SchCa only contained goethite all *** 33.5%of the surface adsorbed-Ca was released into solution within 6 hr after Fe(Ⅱ) *** Ca behaved in a“first release and then im-mobilization”manner,which indicated dissolution and secondary mineralization drove Ca migration during the Fe(Ⅱ)-mediated transformation of *** Ca blocked the surface sites for subsequent Fe(Ⅱ) adsorption,limited the Fe(Ⅱ)-Fe(Ⅲ) ETAE,and decreased the transformation *** work sheds light on the complex geochemical behavior of schwertmannite under the influences of environmental perturbations in AMD environments.

关键词： Acid mine drainage Schwertmannite Calcium Fe(II) Transformation

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Facet Engineering of Advanced Electrocatalysts Toward Hydrogen/Oxygen Evolution Reactions

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Nano-Micro Letters 2023年第4期15卷 97-137页

作者： Changshui Wang Qian Zhang Bing Yan Bo You Jiaojiao Zheng Li Feng Chunmei Zhang Shaohua Jiang Wei Chen Shuijian He International innovation Center for Forest Chemicals and Materials Co‑Innovation Center of Efficient Processing and Utilization of Forest ResourcesNanjing Forestry UniversityNanjing 210037People’s Republic of China key laboratory of Material Chemistry for Energy Conversion and Storage Ministry of EducationHubei Key Laboratory of Material Chemistry and Service FailureSchool of Chemistry and Chemical EngineeringHuazhong University of Science and Technology(HUST)Wuhan 430074People’s Republic of China Institute of Materials science and Devices School of Materials Science and EngineeringSuzhou University of Science and TechnologySuzhou 2150009People’s Republic of China guangxi key laboratory of Low Carbon Energy Materials College of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004People’s Republic of China State key laboratory of Electroanalytical Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022People’s Republic of China University of science and technology of China Hefei 230026People’s Republic of China

The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon *** can effectively reduce the reaction energy barrier and increase the reaction *** engineering is considered as a promising strategy in controlling the ratio of desired crystal planes on the *** to the anisotropy,crystal planes with different orientations usually feature facet-dependent physical and chemical properties,leading to differences in the adsorption energies of oxygen or hydrogen intermediates,and thus exhibit varied electrocatalytic activity toward hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).In this review,a brief introduction of the basic concepts,fundamental understanding of the reaction mechanisms as well as key evaluating parameters for both HER and OER are *** formation mechanisms of the crystal facets are comprehensively overviewed aiming to give scientific theory guides to realize dominant crystal ***,three strategies of selective capping agent,selective etching agent,and coordination modulation to tune crystal planes are comprehensively ***,we present an overview of significant contributions of facet-engineered catalysts toward HER,OER,and overall water *** particular,we highlight that density functional theory calculations play an indispensable role in unveiling the structure–activity correlation between the crystal plane and catalytic ***,the remaining challenges in facet-engineered catalysts for HER and OER are provided and future prospects for designing advanced facet-engineered electrocatalysts are discussed.

关键词： Crystal facet engineering Anisotropy Oxygen evolution reaction Hydrogen evolution reaction Theoretical simulations

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