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Machine learning-driven optimization of plasma-catalytic dry reforming of methane

Journal of Energy chemistry 2024年第9期96卷 153-163页

作者： Yuxiang Cai Danhua Mei Yanzhen Chen Annemie Bogaerts Xin Tu department of Electrical Engineering and Electronics University of LiverpoolLiverpool L693GJUK Research Group PLASMANT Department of ChemistryUniversity of AntwerpUniversiteitsplein 1BE-2610 Wilrijk-AntwerpBelgium College of Electrical Engineering and Control Science Nanjing Tech UniversityNanjing 211816JiangsuChina

This study investigates the dry reformation of methane(DRM)over Ni/Al_(2)O_(3)catalysts in a dielectric barrier discharge(DBD)non-thermal plasma reactor.A novel hybrid machine learning(ML)model is developed to optimize the plasma-catalytic DRM reaction with limited experimental *** address the non-linear and complex nature of the plasma-catalytic DRM process,the hybrid ML model integrates three well-established algorithms:regression trees,support vector regression,and artificial neural networks.A genetic algorithm(GA)is then used to optimize the hyperparameters of each algorithm within the hybrid ML *** ML model achieved excellent agreement with the experimental data,demonstrating its efficacy in accurately predicting and optimizing the DRM *** model was subsequently used to investigate the impact of various operating parameters on the plasma-catalytic DRM *** found that the optimal discharge power(20 W),CO_(2)/CH_(4)molar ratio(1.5),and Ni loading(7.8 wt%)resulted in the maximum energy yield at a total flow rate of∼51 mL/***,we investigated the relative significance of each operating parameter on the performance of the plasma-catalytic DRM *** results show that the total flow rate had the greatest influence on the conversion,with a significance exceeding 35%for each output,while the Ni loading had the least impact on the overall reaction *** hybrid model demonstrates a remarkable ability to extract valuable insights from limited datasets,enabling the development and optimization of more efficient and selective plasma-catalytic chemical processes.

关键词： Plasma catalysis Machine learning Process optimization Dry reforming of methane Syngas production

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Investigation on Degradation Path of SF_(6)in Packed-bed Plasma:Effect of Plasma-generated Radicals

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CSEE Journal of Power and Energy Systems 2024年第3期10卷 1231-1241页

作者： Zhaolun Cui Chang Zhou Amin Jafarzadeh Xiaoxing Zhang Peng Gao Licheng Li Yanpeng Hao School of Electric Power Engineering South China University of TechnologyGuangzhou 510630China School of Electrical and Electronic Engineering Hubei University of TechnologyWuhan 430068China Research group PLASMANT Department of ChemistryUniversity of AntwerpUniversiteitsplein 1BE-2610 Wilrijk-AntwerpBelgium CSEE

SF_(6)degradation mechanism in non-thermal plasma(NTP)systems is not fully understood due to the formation of a complex physico-chemical reaction network,especially when reactive gases and packing materials are *** this work,we conduct a combined experimental and theoretical study to unravel the SF_(6)degradation path in a-Al_(2)O_(3)packed plasma in the presence of H_(2)O or O_(2).Our experimental results show that both H_(2)O and O_(2)have a synergetic effect with-Al_(2)O_(3)packing on promoting SF_(6)degradation,leading to higher stable gas yields than typical spark or corona discharges.H_(2)O or O_(2)addition promotes SO_(2)or SO_(2)F_(2)selectivity,*** functional theory(DFT)calculations reveal that SO_(2)generation corresponding with the highest activation barrier is the most critical step toward SF_(6)*** like H and O generated from H_(2)O or O_(2)discharge can significantly promote the degradation process via Eley-Rideal mechanism,affecting key reactions of stable product generation,advancing degradation *** results of this work could provide insights on further understanding SF_(6)degradation mechanism especially in packed-bed plasma systems.

关键词： Degradation mechanism packed-bed plasma radicals SF_(6)

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Charting the course to solid-state dual-ion batteries

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Carbon Energy 2024年第3期6卷 132-177页

作者： Habtom D.Asfaw Antonia Kotronia Nuria Garcia-Araez Kristina Edström Daniel Brandell department of chemistry Ångström LaboratoryUppsala UniversityUppsalaSweden department of chemistry University of SouthamptonSouthamptonUK

An electrolyte destined for use in a dual-ion battery(DIB)must be stable at the inherently high potential required for anion intercalation in the graphite electrode,while also protecting the Al current collector from anodic dissolution.A higher salt concentration is needed in the electrolyte,in comparison to typical battery electrolytes,to maximize energy density,while ensuring acceptable ionic conductivity and operational *** recent years,studies have demonstrated that highly concentrated organic electrolytes,ionic liquids,gel polymer electrolytes(GPEs),ionogels,and water-in-salt electrolytes can potentially be used in *** can help reduce the use of solvents and thus lead to a substantial change in the Coulombic efficiency,energy density,and long-term cycle life of ***,GPEs are suited to manufacture compact DIB designs without separators by virtue of their mechanical strength and electrical *** this review,we highlight the latest advances in the application of different electrolytes in DIBs,with particular emphasis on GPEs.

关键词： anion intercalation concentrated electrolytes dual-ion battery graphite ionic liquids polymer electrolyte

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Inorganic ionic polymerization:From biomineralization to materials manufacturing

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Nano Research 2024年第2期17卷 550-569页

作者： Yanhua Sang Kexin Qin Ruikang Tang Zhaoming Liu department of chemistry Zhejiang UniversityHangzhou 310058China

Biomineralization process regulates the growth of inorganic minerals by complex molecules,proteins,and cells,endowing bio-materials with marvels structures and excellent *** intricate structures and compositions found in biominerals have inspired scientists to design and synthesize numerous artificial biomimetic *** methodology for controlling the formation of inorganics plays a pivotal role in achieving biomimetic structures and ***,the current approach predominantly relies on the classical nucleation theory,which hinders the precise preparation of inorganic materials by replicating the biomineralization ***,the development of“inorganic ionic polymerization”strategy has enabled us to regulate the arrangement of inorganic ions from solution to solid phase,which establishes an artificial way to produce inorganic materials analogous to the biomineralization *** on inorganic ionic polymerization,a series of achievements have been realized for the biomimetic preparation,including moldable construction of inorganic materials,hard tissue regeneration,and high-performance biomimetic ***,the utilization of inorganic ionic polymerization has also facilitated the production of numerous advanced materials,including novel structures that exceed the current knowledge of materials *** inorganic ionic polymerization system provides new artificial strategies and methodologies for the controllable synthesis of inorganics,which mimics the biomineralization process,paving the way for the future development of more high-performance materials.

关键词： biomineralization inorganic ionic polymerization biomimetic materials crystal growth synthetic methodology

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Atomically dispersed materials:Ideal catalysts in atomic era

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Nano Research 2024年第1期17卷 18-38页

作者： Tao Gan Dingsheng Wang department of chemistry Tsinghua UniversityBeijing 100084China

Catalysts can accelerate the chemical reaction rate and effectively promote the molecules transformation,which is of great significance in the research of chemical industry and material *** extreme utilization of reactive sites has led to the emergence and development of atomically dispersed materials(ADMs).The highly active coordination unsaturated metal sites and fully utilized metal atoms make ADMs show great potential in catalytic *** adjustment of coordination environment and electronic structure provides more possibilities for constructing reactive centers with different *** review summarized the application and research progress of ADMs in different *** design strategy and structure–activity relationship of ADMs for specific reactions were summarized and ***,we also provided advices for the challenges and opportunities faced by ADMs in catalytic reactions.

关键词： atomically dispersed materials catalysis organic synthesis battery sensor enzyme

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Electrochemical conversion of organic compounds and inorganic small molecules

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Science China chemistry 2024年第10期67卷 3223-3246页

作者： Weimei Zeng Youai Qiu department of chemistry Nankai UniversityTianjin 300071China

Electrochemical synthesis presents a facile and sustainable strategy to produce valuable *** review summarizes the most recent advances in electrosynthesizing value-added compounds with inorganic small ***“small molecules”refers to a broad spectrum of chemicals,we mainly focus on the electrochemical conversion of CO_(2),H_(2)O/D_(2)O,NH_(3)and SO_(2)until March *** review intends to compare the results and display general trends throughout the field,with an emphasis on the substrate scope and mechanical ***,we propose several techniques and protocols that can enable a more fundamental understanding of the electrochemical reaction involving inorganic small molecules and help drive this methodology toward commercialization.

关键词： electrochemical synthesis inorganic small molecule organic synthesis carbon dioxide water

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Synthesis and characterization of three new solid polyoxometalates based on Wells-Dawson-derived sandwich-type polyanions [Co_(4)(H_(2)O)_(2)(P_(2)W_(15)O_(56))_(2)]^(16-)

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Journal of Zhejiang university-Science A(Applied Physics & Engineering) 2024年第3期25卷 268-274页

作者： Jjijie YE Xuan XU Chuande WU department of chemistry Zhejiang UniversityHangzhou 310058China

Three polyoxometalate-based hybrid coordination materials,[Co_(8)(H_(2)O)_(34)(pz)_(2){Co_(4)(H_(2)O)_(2)P_(4)W_(30)O_(112)}]·16H_(2)O(compound 1),[H_(3)O]_(4)[Co_(6)(H_(2)O)_(22)(pz)_(2){Co_(4)(H_(2)O)_(2)P_(4)W_(30)O_(112)}]·21H_(2)(compound 2),and[H_(3)O]_(4)[Co_(6)(H_(2)O)_(22){Co_(4)(H_(2)O)_(2)P_(4)W_(30)O_(112)}]·29H_(2)O(compound 3)(pz-pyrazine),were built from the linkage of[Co_(4)(H_(2)O)_(2)(P_(2)W_(15)O_(56)_(2)]^(16-)-(abbreviated as{Co_(4)P_(4)W_(30})polyanions and pz and/or cobalt(II)*** compounds 1 and 2 consisted of the same components,their lamellar networks were quite *** inorganic lamellar network in compound 3 was constructed by connecting{Co_(4)P_(4)W_(30)}units with cobalt(I)*** work demonstrates that the coordination modes of{Co_(4)P_(4)W_(30)}are very sensitive to synthesis conditions,while the ring-belt tetrametals are easily substituted by different transition metal cations under mild reaction conditions.

关键词： Cobalt Crystal structure Cyclic voltammetry Hybrid Polyoxometalate

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Optimizing intrinsic cocatalyst activity and light absorption efficiency for efficient hydrogen evolution of 1D/2D ReS_(2)-CdS photocatalysts via control of ReS_(2)nanosheet layer growth

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Journal of Materials Science & Technology 2024年第1期168卷 103-113页

作者： Ghufran Aulia Bin Azizar Jong Wook Hong department of chemistry University of UlsanUlsan 44610Korea

The visible-light-driven hydrogen evolution is extremely important,but the poor charge transfer capa-bility,a sluggish evolution rate of hydrogen,and severe photo-corrosion make photocatalytic hydrogen evolution *** this study,we present 1D/2D ReS_(2)-CdS hybrid nanorods for photocatalytic hy-drogen evolution,comprised of a ReS_(2)nanosheet layer grown on CdS *** found that precise control of the contents of the ReS_(2)nanosheet layer allows for manipulating the electronic structure of Re in the ReS_(2)-CdS hybrid *** ReS_(2)-CdS hybrid nanorods with optimal ReS_(2)nanosheet layer content dramatically improve photocatalytic hydrogen evolution ***,photocatalytic hydro-gen evolution activity(64.93 mmol g^(−1)h^(−1))of ReS_(2)-CdS hybrid nanorods with ReS_(2)nanosheet layers(Re/Cd atomic ratio of 0.051)is approximately 136 times higher than that of pure CdS nanorods under visible light ***,intimated coupling of the ReS_(2)nanosheet layer with CdS nanorods reduced the surface trap-site of the CdS nanorods,resulting in enhanced photocatalytic *** de-tailed optical and electrical investigations demonstrate that the optimal ReS_(2)nanosheet layer contents in the ReS_(2)-CdS hybrid nanorods can provide improved charge transfer capability,catalytic activity,and light absorption *** study sheds light on the development of photocatalysts for highly efficient photocatalytic hydrogen evolution.

关键词： Photocatalyst Hydrogen evolution reaction ReS_(2)-CdS heterostructure Control of ReS_(2)nanosheet layer growth Optimization of cocatalyst activity and light absorption

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The reformation of catalyst:From a trial-and-error synthesis to rational design

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Nano Research 2024年第4期17卷 3261-3301页

作者： Ligang Wang Jiabin Wu Shunwu Wang Huan Liu Yao Wang Dingsheng Wang department of chemistry Tsinghua UniversityBeijing 100084China

The appropriate catalysts can accelerate the reaction rate and effectively boost the efficient conversion of various molecules,which is of great importance in the study of chemistry,chemical industry,energy,materials and environmental ***,efficient,environmentally friendly,and easy to operate synthesis methods have been used to prepare various types of *** previous studies have reported the synthesis and characterization of the aforementioned catalysts,more still remain in trial and error methods,without in-depth consideration and improvement of traditional synthesis ***,we comprehensively summarize and compare the preparation methods of the trial-and-error synthesis strategy,structure–activity relationships and density functional theory(DFT)guided catalysts rational design for nanomaterials and atomically dispersed *** also discuss in detail the utilization of the nanomaterials and single atom catalysts for converting small molecules(H_(2)O,O_(2),CO_(2),N_(2),etc.)into value-added products driven by electrocatalysis,photocatalysis,and ***,the challenges and outlooks of mass preparation and production of efficient and green catalysts through conventional trial and error synthesis and DFT theory are featured in accordance with its current development.

关键词： trial-and-error synthesis structure–activity relationships density functional theory(DFT)guidance nanomaterials atomically dispersed catalysts

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Emerging perovskite materials for supercapacitors:Structure,synthesis,modification,advanced characterization,theoretical calculation and electrochemical performance

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Journal of Energy chemistry 2024年第2期89卷 41-70,I0003页

作者： Yuehua Qian Qingqing Ruan Mengda Xue Lingyun Chen department of Applied chemistry School of Chemistry and Chemical EngineeringChongqing UniversityChongqing 401331China

As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good *** this review,the design and engineering progress of perovskite materials for supercapacitors(SCs)in recent years is ***,the review will focus on four types of perovskites,perovskite oxides,halide perovskites,fluoride perovskites,and multi-perovskites,within the context of their intrinsic structure and corresponding electrochemical performance.A series of experimental variables,such as synthesis,crystal structure,and electrochemical reaction mechanism,will be carefully analyzed by combining various advanced characterization techniques and theoretical *** applications of these materials as electrodes are then featured for various ***,we look forward to the prospects and challenges of perovskite-type SCs electrodes,as well as the future research direction.

关键词： Perovskite Modification engineering Oxygen vacancy Theoretical calculation methodology Supercapacitor

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