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Experimental and computational optimization of Prussian blue analogues as high-performance cathodes for sodium-ion batteries:A review

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Journal of energy Chemistry 2024年第6期93卷 627-662,I0015页

作者： Gwangeon Oh Junghoon Kim Shivam Kansara Hyokyeong Kang Hun-Gi Jung Yang-Kook Sun Jang-Yeon Hwang Department of energy Engineering Hanyang UniversitySeoul 04763Republic of Korea energy Storage research Center Clean Energy Research DivisionKorea Institute of Science and TechnologySeoul 02792Republic of Korea Department of energy Science Sungkyunkwan UniversitySuwon 16419Republic of Korea KIST-SKKU Carbon-Neutral research Center Sungkyunkwan UniversitySuwon 16419Republic of Korea Department of Battery Engineering Hanyang UniversitySeoul 04763Republic of Korea

In this review,we discuss the electrochemical properties of Prussian blue(PB)for Na^(+)storage by combining structural engineering and electrolyte *** integrated experimental data and density functional theory(DFT)in sodium-ion battery(SIB)research to refine the atomic arrangements and crystal lattices and introduce substitutions and *** changes affect the lattice stability,intercalation,electronic and ionic conductivities,and electrochemical *** unraveled the intricate structure-electrochemical behavior relationship by combining experimental data with computational models,including first-principles *** holistic approach identified techniques for optimizing PB and Prussian blue analog(PBA)structu ral properties for *** also discuss the tuning of electrolytes by systematically adjusting their composition,concentration,and additives using a combination of molecular dynamics(MD)simulations and DFT *** review offers a comprehensive assessment of strategies for enhancing the electrochemical properties of PB and PBAs through structural engineering and electrolyte modifications,combining experimental insights with advanced computational simulations,and paving the way for next-generation energy storage systems.

关键词： Prussian blue analogs(PBAs) Sodium ion batteries(SIBs) Structural engineering Electrolyte modifications Experiments Density functional theory(DFT)

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Applications of optical control materials based on localized surface plasmon resonance effect in smart windows

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Tungsten 2024年第4期6卷 711-731页

作者： Na Ta Jing-Yi Huang Shuai He W.Hanggai Luo-Meng Chao College of Science Inner Mongolia University of Science and Technology Fundamental Aspects of Materials and energy Faculty of Applied Sciences Delft University of Technology

The increasing energy consumption in buildings due to cooling and heating,accounting for over one-third of the total energy consumption in society,has become a growing ***,reducing building energy consumption has become an urgent issue for countries *** serve as the primary channel for energy exchange between the indoor and the outdoor *** providing natural lighting for occupants,windows are also the weakest link in terms of energy *** recent years,there have been some new and superior coating glass technologies compared to traditional low-emissivity *** coatings utilize various optical functional materials to regulate the incident sunlight,aiming to save cooling and heating energy ***,such as tungsten-based compounds,vanadium dioxide,lanthanum hexaboride,or copper monosulfide,can absorb near-infrared light to effectively control solar radiation by leveraging the localized surface plasmon resonance(LSPR) effect of *** paper mainly introduces the micro-mechanisms of these materials and provides a detailed summary of the latest advancements in coating *** application and effects of these coatings in building energy conservation are ***,the challenges and prospects of LSPRbased smart windows are *** is expected that this review will provide new insights into the application of smart windows in green buildings.

关键词： Copper monosulfide Lanthanum hexaboride Localized surface plasmon resonance (LSPR) Tungsten Tungsten-based compounds Vanadium dioxide

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O'Hare Airport roadway traffic prediction via data fusion and Gaussian process regression

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Journal of Traffic and Transportation Engineering(English Edition) 2024年第4期11卷 721-732页

作者： Damola M.Akinlana Arindam Fadikar Stefan M.Wild Natalia Zuniga-Garcia Joshua Auld Department of Mathematics and Statistics University of South Florida Decision and Infrastructure Sciences Division Argonne National Laboratory applied Mathematics and Computational research Division Lawrence Berkeley National Laboratory Department of Industrial Engineering and Management Sciences Northwestern University Argonne National Laboratory Energy Systems Argonne National Laboratory Energy Systems Lemont

This study proposes an approach of leveraging information gathered from multiple traffic data sources at different resolutions to obtain approximate inference on the traffic distribution of Chicago's O'Hare Airport area. Specifically, it proposes the ingestion of traffic datasets at different resolutions to build spatiotemporal models for predicting the distribution of traffic volume on the road network. Due to its good adaptability and flexibility for spatiotemporal data, the Gaussian process(GP) regression was employed to provide short-term forecasts using data collected by loop detectors(sensors) and supplemented by telematics data. The GP regression is used to make predictions of the distribution of the proportion of sensor data traffic volume represented by the telematics data for each location of the sensors. Consequently, the fitted GP model can be used to determine the approximate traffic distribution for a testing location outside of the training points. Policymakers in the transportation sector can find the results of this work helpful for making informed decisions relating to current and future transportation conditions in the area.

关键词： Spatio-temporal Data fusion Gaussian process Multimodal data Airport traffic O’Hare Airport

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Reversible aqueous aluminum metal batteries enabled by a water-in-salt electrolyte

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Green energy & Environment 2024年第7期9卷 1183-1191页

作者： Wenjing Tang Lijun Deng Longyuan Guo Shoubin Zhou Qinhai Jiang Jiayan Luo Shanghai Key Lab of Advanced High-Temperature Materials and Precision Forming State School of Materials Science and Engineering Shanghai Jiao Tong University School of Science Harbin Institute of Technology Key Laboratory for Green Chemical Technology of Ministry of Education School of Chemical Engineering and Technology Tianjin University HuaFu High Technology energy Storage CO. LTD Shanghai Jiao Tong University Shaoxing research Institute of renewable energy and Molecular Engineering

Aluminum（Al）, the most abundant metallic element on the earth crust, has been reckoned as a promising battery material for its the highest theoretical volume capacity(8046 mAh cm-3). Being rechargeable in ionic liquid electrolytes, however, the Al anode and battery case suffer from corrosion. On the other hand, Al is irreversible in aqueous electrolyte with severe hydrogen evolution reaction. Here, we demonstrate a water-in-salt aluminum ion electrolyte（WISE） based on Al and lithium salts to tackle the above challenges. In the WISE system, water molecules can be confined within the Li+solvation structures. This diminished Al3+-H2O interaction essentially eliminates the hydrolysis effect, effectively protecting Al anode from corrosion. Therefore, long-term Al plating/stripping can be realized. Furthermore, two types of high-performance full batteries have been demonstrated using copper hexacyanoferrate（CuHCF, a Prussian Blue Analogues） and LiNi0.8Co0.1Mn0.1O2（NCM） as cathodes. The reversibility of Al anode laid the foundation for low cost rechargeable batteries suffering for large-scale energy *** context: Al batteries are expected to become a safe and sustainable alternative to lithium batteries. For decades, chase for a feasible Al secondary battery has not been successful. The key challenge is to find suitable cathode and electrolyte materials, together with which Al anode battery can function reversibly. Currently, fatal drawbacks have impeded the practical application of Al metal batteries（AMBs）, such as sustained corrosion of Al anode and battery case in ionic liquid electrolytes, irreversibility issues as well as severe hydrogen evolution reaction during cycling in aqueous electrolyte. Therefore, electrolyte and their electrochemical kinetics play a vital role in the performance and environmental operating limitations of high-energy Al metal batteries. In this work, we demonstrate a nearly neutral Al ion water-in-salt electrolyte（WISE） to tackle th

关键词： Water-in-salt electrolyte Rechargeable aluminum anode Solvation sheath Hybrid battery Abundance

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Function-reversible facets enabling SrTiO_(3)nanocrystals for improved photocatalytic hydrogen evolution

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Frontiers in energy 2024年第1期18卷 101-109页

作者： Bin WANG Bei AN Xiaoqian LI Shaohua SHEN School of Physics Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter(Ministry of Education)Key Laboratory of Shaanxi for Advanced Materials and Mesoscopic PhysicsXi’an Jiaotong UniversityXi’an 710049China International research Center for renewable energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049China

It has been widely reported that,for faceted nanocrystals,the two adjacent facets with different band levels contribute to promoted charge separation,and provide active sites for photocatalytic reduction and oxidation reaction,*** such cases,only one family of facets can be used for photocatalytic hydrogen ***,by using SrTiO_(3)nanocrystals enclosed by{023}and{001}facets as a model photocatalyst,this paper proposed a strategy to achieve the full-facets-utilization of the nanocrystals for photocatalytic hydrogen via chemically depositing Pt nanoparticles on all *** photo-deposition experiment of CdS provided direct evidence to demonstrate that the{023}facets which were responsible for photooxidation reaction can be function-reversed for photocatalytic hydrogen evolution after depositing Pt nanoparticles,together with the{001}***,the full-facets-utilization led to a much-improved activity for photocatalytic hydrogen,in contrast to those SrTiO_(3)nanocrystals with only{001}facets deposited by Pt nanoparticles via a photo-deposition method.

关键词： SrTiO_(3)nanocrystals crystal facets photocatalysis hydrogen evolution

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Reanalysis of energy band structure in the type-II quantum wells

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Chinese Physics B 2024年第6期33卷 75-78页

作者：李欣欣邓震江洋杜春花贾海强王文新陈弘 Key Laboratory for renewable energy Beijing Key Laboratory for New Energy Materials and DevicesBeijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China Center of Materials and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China The Yangtze River Delta Physics research Center Liyang 213000China Songshan Lake Materials Laboratory Dongguan 523808China

Band structure analysis holds significant importance for understanding the optoelectronic characteristics of semiconductor structures and exploring their potential applications in practice. For quantum well structures, the energy of carriers in the well splits into discrete energy levels due to the confinement of barriers in the growth direction. However, the discrete energy levels obtained at a fixed wave vector cannot accurately reflect the actual energy band structure. In this work, the band structure of the type-II quantum wells is reanalyzed. When the wave vectors of the entire Brillouin region(corresponding to the growth direction) are taken into account, the quantized energy levels of the carriers in the well are replaced by subbands with certain energy distributions. This new understanding of the energy bands of low-dimensional structures not only helps us to have a deeper cognition of the structure, but also may overturn many viewpoints in traditional band theories and serve as supplementary to the band theory of low-dimensional systems.

关键词： energy band structure type-II quantum wells low-dimensional semiconductors

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Insights on advanced substrates for controllable fabrication of photoanodes toward efficient and stable photoelectrochemical water splitting

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Carbon energy 2024年第4期6卷 164-221页

作者： Huilin Hou Gang Shao Yang Wang Wai‐Yeung Wong Weiyou Yang Institute of Micro/Nano Materials and Devices Ningbo University of TechnologyNingboChina School of Materials Science and Engineering Zhengzhou UniversityZhengzhouChina Department of applied Biology and Chemical Technology and research Institute for Smart energy The Hong Kong Polytechnic UniversityHong KongChina

Conversion of solar energy into H_(2) by photoelectrochemical(PEC)water splitting is recognized as an ideal way to address the growing energy crisis and environmental *** a typical PEC cell,the construction of photoanodes is crucial to guarantee the high efficiency and stability of PEC reactions,which fundamentally rely on rationally designed semiconductors(as the active materials)and substrates(as the current collectors).In this review work,we start with a brief introduction of the roles of substrates in the PEC ***,we provide a systematic overview of representative strategies for the controlled fabrication of photoanodes on rationally designed substrates,including conductive glass,metal,sapphire,silicon,silicon carbide,and flexible ***,some prospects concerning the challenges and research directions in this area are proposed.

关键词： hydrogen photoanode photoelectrochemical substrates water splitting

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Effect of coil and chamber structure on plasma radial uniformity in radio frequency inductively coupled plasma

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Plasma Science and Technology 2024年第7期26卷 58-66页

作者：赵洋周晓华高升荣宋莎莎赵玉真 Shaanxi International Joint research Center for applied Technology of Controllable Neutron Source Xijing UniversityXi’an 710123People’s Republic of China Technological Institute of Materials&energy Science(TIMES) Xi’an Key Laboratory of Advanced Photo-electronics Materials and Energy Conversion DeviceSchool of Electronic InformationXijing UniversityXi’an 710123People’s Republic of China

Enhancing plasma uniformity can be achieved by modifying coil and chamber structures in radio frequency inductively coupled plasma(ICP)to meet the demand for large-area and uniformly distributed plasma in industrial *** study utilized a two-dimensional self-consistent fluid model to investigate how different coil configurations and chamber aspect ratios affect the radial uniformity of plasma in radio frequency *** findings indicate that optimizing the radial spacing of the coil enhances plasma uniformity but with a reduction in electron ***,optimizing the coil within the ICP reactor,using the interior point method in the Interior Point Optimizer significantly enhances plasma uniformity,elevating it from 56%to 96%within the range of the model ***,when the chamber aspect ratio k changes from 2.8 to 4.7,the plasma distribution changes from a center-high to a saddleshaped ***,the plasma uniformity becomes ***,adjusting process parameters,such as increasing source power and gas pressure,can enhance plasma *** findings contribute to optimizing the etching process by improving plasma radial uniformity.

关键词： inductively coupled plasma fluid simulation optimized coil chamber aspect ratio plasma uniformity

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Regioselective C-C bond cleavage/aminocarbonylation cascade under copper catalysis

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Science China Chemistry 2024年

作者： Qi-Chao Shan Yan Zhao Yong Wu Hong-Fei Liu Xin-Hua Duan Li-Na Guo Department of Chemistry School of Chemistry Energy Research Center of Energy Storage Materials and Devices Ministry of EducationXi'an Jiaotong University State Key Laboratory of applied Organic Chemistry Lanzhou University

A regioselective C-C bond cleavage/aminocarbonylation cascade is presented. In recent years, tremendous progress has been made in the alkoxyl radical-mediated C-C bond cleavage of unstrained monocarbocycles. In contrast, the deconstruction and functionalization of bicyclic skeletons has been less developed and has mainly focused on the ring expansion process. Inspired by the aromatization-driven C-C bond cleavage, here we demonstrate a ring-opening/aminocarbonylation cascade under copper catalysis, in which the formation of a stable γ-lactam or succinimide skeleton reverses the selectivity of C-C cleavage. Remarkably, the photo and thermal assistance is not required when the succinimide skeleton is formed during the ring opening process. DFT calculations revealed that this unexpected ring-opening process is thermodynamically and kinetically favourable.

关键词： C-C bond cleavage controllable regioselectivity aminocarbonylation bicyclic alkoxy radical

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Biorenewable materials for water remediation: The central role of cellulose in achieving sustainability

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Journal of Bioresources and Bioproducts 2024年第3期9卷 253-282页

作者： Kirti Mishra Samarjeet Singh Siwal Thandiwe Sithole Nirankar Singh Phil Hart Vijay Kumar Thakur Department of Chemistry M.M.Engineering CollegeMaharishi Markandeshwar(Deemed to be University)Haryana 133207India Department of Chemical Engineering University of JohannesburgDoornfontein 2088South Africa Biorefining and Advanced Materials research Center Scotland’s Rural CollegeEdinburgh EH93JGUnited Kingdom renewable and Sustainable energy research Centre Technology Innovation InstituteAbu Dhabi 9639United Arab Emirates School of Engineering University of Petroleum&Energy StudiesDehradun 248007India

As the population increases and manufacturing grows,greenhouse gas and other harmful emissions *** with chemicals such as dyes,pesticides,pharmaceuticals,oil,heavy metals or radionuclides,wastewater purification has become an urgent *** technologies exist that can remove these contaminants from wastewater sources,but they often demand high energy and/or high cost,and in some cases produce contaminant laden sludge that requires safe *** need for methods which are less capital intensive,less operationally costly and more environmentally friendly is ***-based materials have emerged as promising candidates for wastewater treatment due to their renewability,low cost,biodegradability,hydrophilicity,and antimicrobial *** this review article,we focussed on developing sustainable and biodegradable cellulose-based materials for wastewater *** article deals with cellulose-based materials’scope and their conversion into valuable products like hydrogel,aerogel,cellulose composites,and *** cellulose-based materials have no harmful environmental impact and are *** modified cellulose-based materials applying as membrane,adsorbent,sorbent,and beads to purify the wastewater were ***,the challenges and future prospects of cellulose-based materials for wastewater treatment were considered,emphasizing their potential to be sustainable and eco-friendly alternatives to traditional materials used in wastewater treatment.

关键词： Cellulose Wastewater treatment Hydrogel Nanocrystal Cellulose membrane

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