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Enhancing photodynamic inactivation via tunning spatial constraint on photosensitizer

Science China Chemistry 2024年第2期67卷 652-663页

作者： Chong Li Minghao Han Ji Gao Shuxian Wang Song-Bo Lu Yaxi Li Zhao Liu Chen Zhang Zhaojin Wang Fangliang Wang Yuang Sun Chun Loong Ho Kai Wang Yun Shen Kai Li Shenzhen Key Laboratory of Smart Healthcare engineering Guangdong Provincial Key Laboratory of Advanced BiomaterialsDepartment of Biomedical EngineeringSouthern University of Science and TechnologyShenzhen518055China department of chemical and environmental engineering University of California RiversideRiverside92521USA department of Electrical and Electronic engineering Southern University of Science and TechnologyShenzhen518055China

The critical factor of spatial constraint,provided by the external confinement(e.g.,matrix),is often overlooked during photodynamic inactivation,despite playing a crucial role in determining the molecular photophysical process and subsequent antipathogen ***,as a proof-of-concept model,we employed two types of polymers with varying interaction energies with dopants to investigate the intrinsic relationship between spatial constraint and the essential excited-state behaviors of doped photosensitizer(4-(2-(5-(4-(diphenylamino)phenyl)thiophen-2-yl)ethyl)-1-methylquinolin-1-ium iodine,TPP).Through experimental investigation and theoretical calculations,we found that TPP tends to remain in the excited state for a shorter dwell time under weaker spatial constraints due to less restricted molecular motion in polyurethane(PU) ***,the singlet oxygen(^(1)O_(2)) generated from doped-TPP shows a 9.23-fold enhancement in PU than in the polyvinylchloride(PVC) *** light irradiation,the PU@TPP nanofiber can efficiently eliminate the coronavirus MHV-A59(≥99.9997%) at a 220,000-fold higher concentration than the infected *** antibacterial efficacy has also been demonstrated,with a killing rate of ≥99%.

关键词： photodynamic antibacterial singlet oxygen triphenylamine nanofiber

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Experimental investigation of surfactant adsorption during EOR and soil pollution control processes:Influence of surfactant concentration,water salinity,and clay type

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Petroleum 2024年第3期10卷 527-538页

作者： Arian Pishkoo Behnam Sedaee Alireza Bahramian Institute of Petroleum engineering Chemical Engineering DepartmentCollege of EngineeringUniversity of TehranTehranIran

Surfactant injection is a well-established method of chemical EOR *** adsorption into clay layers can prevent their proper performance and thus reduce the oil recovery *** the other hand,this adsorption property of clay materials can be used to prevent surface and underground water pollution and reduce soil *** this experimental study,the effect of surfactant concentration,electrolyte type(NaCl and MgCl_(2)),and the solution salinity on fluid adsorption into the interlayer space of different clay types(bentonite and kaolinite)was *** analysis was conducted on two relevant clay samples,and immersion and Washburn tests were performed on the desired samples with the Sigma 700 ***,according to the clay type,the most optimal conditions were introduced for the surfactant solution used in the two areas of EOR and environmental processes related to reducing soil *** the EOR processes,the optimal condition for the lowest adsorption amount is C(with 1 CMC concentration and salinity of 100,000 ppm for NaCl salt).This fluid works better in kaolinite *** the environmental field related to the reduction of soil pollution,if the pollutants we are looking for are R and S(with alkyl benzene sulfonic acid as the dominant agent),bentonite has a better performance than kaolinite in terms of adsorption and subsequently pollution *** the polluting fluid contains MgCl_(2) ions in the exact salinity values,the adsorption amount and soil pollution control will be higher for both adsorbent clays than if our fluid has NaCl *** study's findings have a wide range of applications in surfactant flooding designs,surfactant adsorption optimization,and can be generalized to other detergent types.

关键词： EOR Adsorption Clay Bentonite Kaolinite Soil pollution Surfactant Immersion test Washburn test Salinity

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Machine Learning-Assisted Fabrication of PCBM-Perovskite Solar Cells with Nanopatterned TiO2 Layer

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Energy & environmental Materials 2024年第4期7卷 223-230页

作者： Siti Norhasanah Sanimu Hwa-Young Yang Jeevan Kandel Ye-Chong Moon Gangasagar Sharma Gaudel Seung-Ju Yu Yong Ju Kim Sejung Kim Bong-Hyun Jun Won-Yeop Rho Graduate School of Integrated Energy-AI Jeonbuk National University School of Energy and chemical engineering Ulsan National Institute of Science and Technology (UNIST) department of Herbal Medicine Resources College of Environmental and Bioresource Sciences Jeonbuk National University School of chemical engineering Jeonbuk National University department of Bioscience and Biotechnology Konkuk University School of International engineering and Science Jeonbuk National University

To unlock the full potential of PSCs,machine learning （ML） was implemented in this research to predict the optimal combination of mesoporous-titanium dioxide （mp-TiO2） and weight percentage （wt%） of phenyl-C61-butyric acid methyl ester （PCBM）,along with the current density(Jsc),open-circuit voltage (Voc),fill factor （ff）,and energy conversion efficiency （ECE）.

关键词： machine learning nanopatterning PCBM perovskite solar cells prediction

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An efficient approach for the treatment of radioactive waste perfluoropolyether lubricants via a synergistic effect of thermal catalysis and immobilization

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Journal of environmental Sciences 2024年第2期136卷 512-522页

作者： Xinhang Du Wenhua Tong Xinyu Zhou Jia Luo Yuqiu Liu Yabo Wang Panyu Li Yongkui Zhang department of Pharmaceutical&Biological engineering School of Chemical EngineeringSichuan UniversityChengdu 610065China

Perfluoropolyether(PFPE)lubricants are a kind of high-molecular polymer with many excellent ***,the use of PFPEs in the nuclear industry can lead to partial decomposition and carrying radionuclides,resulting in a large amount of radioactive waste PFPE lubricants ***,radioactive waste PFPE lubricants are difficult to be effectively treated due to their high stability,the risk of possible leakage of radionuclides,and hypertoxic fluorine-containing *** this study,without any precedent,a strategy of Mn O_(2)-catalyzed decomposition and Na_(2)CO_(3)-immobilized conversion was proposed for PFPE lubricant decomposition and fluorine immobilization simultaneously based on the Lewis acid-base and oxygen vacancies concept.A high fluorine conversion efficiency of 95.4%was ***,the mechanism of decomposition suggested that Mn O_(2)mainly provided Lewis acid sites and attacked the(basic)fluorine or oxygen atoms in PFPE *** decomposition of PFPE chains was proceed down and volatile fluorine-containing gas was released by partial electron transfer,intramolecular disproportionation reaction,and unzipping ***,gas by-products could be further oxidized and then immobilized into fluoride salts by carbonate solid ***,this study provides a simple,safe,and potentially practical strategy for the harmless conversion of refractory fluorinated organic wastes,especially perfluoropolymers.

关键词： Perfluoropolyether lubricants Catalyzed decomposition Fluorine-containing gas Immobilized conversion Fluoride

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Integrated CO_(2)capture and reduction catalysis:Role ofγ-Al_(2)O_(3)support,unique state of potassium and synergy with copper

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Journal of environmental Sciences 2024年第6期140卷 113-122页

作者： Donato Pinto Stefano Minorello Zhouping Zhou Atsushi Urakawa Catalysis engineering Department of Chemical EngineeringDelft University of TechnologyDelft2629HZNetherlands

Carbon dioxide capture and reduction(CCR)process emerges as an efficient catalytic strategy for CO_(2)capture and conversion to valuable chemicals.K-promoted Cu/Al_(2)O_(3)catalysts exhibited promising CO_(2)capture efficiency and highly selective conversion to syngas(CO+H_(2)).The dynamic nature of the Cu-K system at reaction conditions complicates the identification of the catalytically active phase and surface *** present work aims at more precise understanding of the roles of the potassium and copper and the contribution of the metal oxide ***γ-Al_(2)O_(3)guarantees high dispersion and destabilisation of the potassium phase,potassium and copper act synergistically to remove CO_(2)from diluted streams and promote fast regeneration of the active phase for CO_(2)capture releasing CO while passing H_(2).A temperature of 350℃is found necessary to activate H_(2)dissociation and generate the active sites for CO_(2)*** effects of synthesis parameters on the CCR activity are also described by combination of ex-situ characterisation of the materials and catalytic testing.

关键词： Carbon dioxide Carbon capture and utilisation CO_(2)capture and reduction Solid CO_(2)sorbents Heterogeneous catalysis Potassium Copper catalysts Aluminium oxide

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Effect of electrolyte cation-mediated mechanism on electrocatalytic carbon dioxide reduction

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Chinese chemical Letters 2024年第7期35卷 139-146页

作者： Yuan Dong Mutian Ma Zhenyang Jiao Sheng Han Likun Xiong Zhao Deng Yang Peng Soochow Institute of Energy and Material Innovations College of EnergyJiangsu Key Laboratory of Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySoochow 215006China Jiangsu Key Laboratory of Advanced Negative Carbon technologies Soochow UniversitySoochow 215123China School of Chemistry and chemical engineering Shihezi UniversityShihezi 832003China School of chemical and environmental engineering Shanghai Institute of TechnologyShanghai 201418China

The steep reduction in costs and systematic optimization of renewable electricity has ignited an intensifying interest in harnessing electroreduction of carbon dioxide(CO_(2)RR)for the generation of chemicals and *** focus of research over the past few decades has been on the optimization of the electrode and the electrolyte ***,cation species in the latter have recently been found to dramatically alter the selectivity of CO_(2)RR and even their catalytic activity by multiple orders of *** a result,the selection of cations is a critical factor in designing catalytic interfaces with high selectivity and efficiency for targeted *** decision-making regarding cation selection relies on a comprehensive understanding of prevailing electrolyte effect models that have been used to elucidate observed experimental *** this perspective,we review the hypotheses that explain how electrolyte cations influence CO_(2)RR by mechanisms such as through tuning of the interfacial electric field,buffering of the local pH,stabilization of the key intermediates and regulation of the interfacial *** endeavor is to elucidate the molecular mechanisms underpinning cation effects,thus fostering the evolution of more holistic and universally applicable predictive *** this regard,we highlight the current challenges in this area of research,while also identifying potential avenues for future investigations.

关键词： CO_(2)electrocatalytic reduction Cation effects Catalytic mechanisms Catalytic interfaces Electric double layer

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Catalytic oxidation of toluene by manganese oxides:Effect of K^(+)doping on oxygen vacancy

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Journal of environmental Sciences 2024年第8期142卷 43-56页

作者： Zhenzhen Huang Haiyang Li Xuejun Zhang Yanli Mao Yinghan Wu Wei Liu Hongrun Gao Mengru Zhang Zhongxian Song Faculty of environmental and Municipal engineering Henan Key Laboratory of Water Pollution Control and Rehabilitation TechnologyHenan University of Urban ConstructionPingdingshan 467036China College of environmental and Safety engineering Shenyang University of Chemical TechnologyShenyang 110142China

Alkali metal potassium was beneficial to the electronic regulation and structural stability of transition metal ***,K ions were introduced into manganese oxides by different methods to improve the degradation efficiency of *** results of activity experiments indicated that KMnO_(4)-HT(HT:Hydrothermal method)exhibited outstanding low-temperature catalytic activity,and 90%conversion of toluene can be achieved at 243℃,which was 41℃and 43℃lower than that of KNO_(3)-HT and Mn-HT,*** largest specific surface area was observed on KMnO_(4)-HT,facilitating the adsorption of *** formation of cryptomelane structure over KMnO_(4)-HT could contribute to higher content of Mn^(3+)and lattice oxygen(Olatt),excellent low-temperature reducibility,and high oxygen mobility,which could increase the catalytic ***,two distinct degradation pathways were ***Ⅰ(KMnO_(4)-HT):toluene→benzyl→benzoic acid→carbonate→CO_(2)and H2O;PathwayⅡ(Mn-HT):toluene→benzyl alcohol→benzoic acid→phenol→maleic anhydride→CO_(2)and *** intermediates were detected on KMnO_(4)-HT,indicating its stronger oxidation capacity of toluene,which was originated from the doping of K^(+)and the interaction between *** intermediates were observed on Mn-HT,which can be attributed to the weaker oxidation ability of pure *** results indicated that the doping of K^(+)can improve the catalytic oxidation capacity of toluene,resulting in promoted degradation of intermediates during the oxidation of toluene.

关键词： Catalytic oxidation Preparation method Cryptomelane Mn^(3+)and lattice oxygen

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Machine learning for membrane design and discovery

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Green Energy & Environment 2024年第1期9卷 54-70页

作者： Haoyu Yin Muzi Xu Zhiyao Luo Xiaotian Bi Jiali Li Sui Zhang Xiaonan Wang department of chemical engineering Tsinghua University100084BeijingChina School of Materials Science&engineering Tsinghua University100084BeijingChina department of chemical and Biomolecular engineering National University of SingaporeSingapore117576Singapore

Membrane technologies are becoming increasingly versatile and helpful today for sustainable *** Learning(ML),an essential branch of artiﬁcial intelligence(AI),has substantially impacted the research and development norm of new materials for energy and *** review provides an overview and perspectives on ML methodologies and their applications in membrane design and dis-covery.A brief overview of membrane technologies isﬁrst provided with the current bottlenecks and potential *** an appli-cations-based perspective of AI-aided membrane design and discovery,we further show how ML strategies are applied to the membrane discovery cycle(including membrane material design,membrane application,membrane process design,and knowledge extraction),in various membrane systems,ranging from gas,liquid,and fuel cell separation ***,the best practices of integrating ML methods and speciﬁc application targets in membrane design and discovery are presented with an ideal paradigm *** challenges to be addressed and prospects of AI applications in membrane discovery are also highlighted in the end.

关键词： Machine learning Membranes AI for Membrane Data-driven Design

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Mo_(2)B_(2)O_(2)MBene for Efficient Electrochemical CO Reduction to C_(2)chemicals:Computational Exploration

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Energy & environmental Materials 2024年第6期7卷 342-350页

作者： Bikun Zhang Jianwen Jiang department of chemical and Biomolecular engineering National University of SingaporeSingapore 117576Singapore

Emerging as a new class of two-dimensional materials with atomically thin layers,MBenes have great potential for many important applications such as energy storage and *** mitigating carbon footprint,there has been increasing interest in CO_(2)/CO conversion on MBenes,but mostly focused on C_(1)products.C^(2+)chemicals generally possess higher energy densities and wider applications than C_(1)***,C–C coupling is technically challenging because of high energy requirement and currently few catalysts are suited for this ***,we explore electrochemical CO reduction reaction to C_(2)chemicals on Mo_(2)B_(2)O_(2)MBene via density-functional theory ***,the most favorable CO–COH coupling is revealed to be a spontaneous and barrierless process,making Mo_(2)B_(2)O_(2)an efficient catalyst for C–C *** C_(1)and C_(2)chemicals,ethanol is predicted to be the primary ***,by charge and bond analysis,it is unraveled that there exist significantly more unbonded electrons in the C atom of intermediate*COH than other C_(1)intermediates,which is responsible for the facile C–C *** an atomic scale,this work provides microscopic insight into C–C coupling process and suggests Mo_(2)B_(2)O_(2)a promising catalyst for electrochemical CO reduction to C_(2)chemicals.

关键词： C_(2)chemicals C-C coupling density-functional theory MBene Mo2B2O2

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Insights into photocatalytic mechanism over a novel Cu_(2)WS_(4)/MoS_(2) S-scheme heterojunction

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Rare Metals 2024年第7期43卷 3118-3133页

作者： Wei Zhao Ji-Hui Cao Jun-Jie Liao Yun Liu Xiao-Jun Zeng Jun-Yu Shen Xue-Kun Hong Yang Guo He-Hua Zeng Ya-Zi Liu School of Materials engineering Jiangsu Key Laboratory of Advanced Functional MaterialsSchool of Electronic and Information EngineeringChangshu Institute of TechnologyChangshu215500China School of Chemistry and chemical engineering Changji UniversityChangji 831100China State environmental Protection Key Laboratory of Soil environmental Management and Pollution Control Ministry of Ecology and EnvironmentNanjing Institute of Environmental SciencesNanjing 210023China School of Environment Jiangsu Engineering Lab of Water and Soil Eco-RemediationNanjing Normal UniversityNanjing 210023China department of chemical engineering Curtin UniversityPerthWA6845Australia

A novel efficient Cu_(2)WS_(4)/MoS_(2) step-scheme(S-scheme)heterojunction photocatalyst was constructed for the first time and applied in the removal of environmental *** the as-prepared photocatalysts,the Cu_(2)WS_(4)/MoS_(2)-8%heterojunc tion photoc atalyst demonstrates the optimal photocatalytic performance,with the catalytic oxidation efficiency of tetracycline(TC)and the catalytic reduction efficiency of Cr^(6+)reaching 93.3%and 82.1%,*** excellent catalytic properties of Cu_(2)WS_(4)/MoS_(2) heterojunction photocatalysts are attributed to the effective separation pathways of charges and the presence of S-scheme heterojunctions,together with stronger redox *** is speculated that the photogenerated carrier migration path of the Cu_(2)WS_(4)/MoS_(2) catalyst follows the typical S-scheme photocatalytic mechanism,which is verified by the in-depth experimental study and simulated calculations including the electron paramagnetic resonance(EPR)analysis,free radical quenching experiments,charge density distribution,and simulated built-in electric field formation at the interface,which acts as driving force to promote the separation of photoinduced electrons and ***,the photocatalytic mechanism of S-scheme photogenerated carrier migration for the Cu_(2)WS_(4)/MoS_(2) catalyst is revealed based on the systematic experimental techniques and simulated calculations,accounting for its superior photocatalytic oxidation and reduction *** study provides inspiring implications to develop high-efficient S-scheme photocatalytic systems for versatile applications in solarenergy conversion.

关键词： Cu_(2)WS_(4)/MoS_(2) S-scheme Heterojunction Photocatalysis

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