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Maximizing biomass utilization: An integrated strategy for coproducing multiple chemicals

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Journal of Energy Chemistry 2025年第1期100卷 180-191页

作者： Byeongchan Ahn Sua Jo Jonggeol Na J.Jay Liu Young-Ju Kim Wangyun Won department of Chemical and Biological engineering Korea University department of Chemical engineering (Integrated process) Kyung Hee University department of Chemical engineering and materials Science Ewha Womans University department of Chemical engineering Pukyong National University Resources engineering Plant Research department Korea Institute of Geoscience and Mineral Resources

Lignocellulosic biomass is one of the viable solutions to alleviate the global warming. However, the limited utilization of biomass majorly focused on cellulose and hemicellulose restricts the economic and environmental feasibilities. To cope with this issue, we proposed an integrated process of co-producing 1,6-hexanediol（1,6-HDO） with tetrahydrofuran and adipic acid from biomass, referred to as Strategy A. To compare the impacts of lignin upgrading and feedstock, Strategy B, which co-produces tetrahydrofuran alone, and Strategy C, which is the traditional route to produce 1,6-HDO from fossil fuels, were used. Heat networks are also designed to reduce operating costs and indirect carbon emissions due to energy consumption, saving 87% and 83% of the heat and cooling requirements, respectively, in Strategy A. The market competitiveness of Strategy A was evaluated by determining the minimum selling price through techno-economic analysis, and sustainability was thoroughly investigated by quantifying the environmental impacts through both midpoint and endpoint life-cycle assessments（LCAs）.Strategy A was found to be the most favorable both economically（USRDSCHARDOLLAR3,402/ton） and environmentally（-26.9 kg CO2eq.）. This indicates that lignin valorization is not only economically but also environmentally preferred. Finally, changes in economic and environmental feasibilities depending on economic, process, and environmental parameters were investigated using sensitivity and uncertainty analyses. The results of these analyses provide valuable insight into bio-based chemical production.

关键词： Carbon capture and utilization

A low redox potential and long life organic anode material for sodium-ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 557-564页

作者： Zhi Li Yang Wei Kang Zhou Xin Huang Xing Zhou Jie Xu Taoyi Kong Junwei Lucas Bao Xiaoli Dong Yonggang Wang department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative materials Institute of New Energy Collaborative Innovation Center of Chemistry for Energy Materials (iChEM) Fudan University department of Chemistry Boston College School of materials Science and engineering Anhui University of Technology

Sodium-ion batteries （SIBs） with organic electrodes are an emerging research direction due to the sustainability of organic materials based on elements like C,H,O,and sodium ***,organic electrode materials for SIBs are mainly used as cathodes because of their relatively high redox potentials（>1 V）.Organic electrodes with low redox potential that can be used as anode are ***,a novel organic anode material （tetrasodium 1,4,5,8-naphthalenetetracarboxylate,Na4TDC） has been developed with low redox potential （<0.7 V） and excellent cyclic *** three-sodium storage mechanism was demonstrated with various in-situ/ex-situ spectroscopy and theoretical calculations,showing a high capacity of 208 mAh/g and an average decay rate of merely 0.022%per ***,the Na4TDC-hard carbon composite can further acquire improved capacity and cycling stability for 1200 cycles even with a high mass loading of up to 20 mg *** pairing with a thick Na3V2（PO4）3cathode (20.6 mg cm-2),the as-fabricated full cell exhibited high operating voltage （2.8 V）,excellent rate performance and cycling stability with a high capacity retention of 88.7% after 200 cycles,well highlighting the Na4TDC anode material for SIBs.

关键词： Organic anode material Low redox potential Composite anode Sodium-ion batteries

Magnetron sputtered nickel oxide with suppressed interfacial defect states for efficient inverted perovskite solar cells

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Journal of Energy Chemistry 2025年第1期100卷 348-355页

作者： Guoqiang Ma Qin Tan Zhaoning Li Jingwei Xiu Jiafeng Wang Tianle Cheng Dong He Qiang Sun Xuhang Ma Francesco Lamberti Zhubing He department of materials Science and engineering Institute of Innovative Materials (I2M) Shenzhen Key Laboratory of Full Spectral Solar Electricity Generation (FSSEG)Southern University of Science and Technology (SUSTech) Core Research Facilities Southern University of Science and Technology department of Chemical Sciences Department of Industrial Engineering University of Padova

Widely used spin-coated nickle oxide （NiOx） based perovskite solar cells often suffer from severe interfacial reactions between the NiOxand adjacent perovskite layers due to surface defect states,which inherently impair device performance in a long-term view,even with surface molecule *** this study,we developed high-quality magnetron-sputtered NiOxthin films through detailed process optimization,and compared systematically sputtered and spin-coated NiOxthin film surfaces from materials to *** sputtered NiOxfilms exhibit improved crystallinity,smoother surfaces,and significantly reduced Ni3+or Ni vacancies compared to their spin-coated ***,the interface between the perovskite and sputtered NiOxfilm shows a substantially reduced density of defect *** solar cells （PSCs） fabricated with our optimally sputtered NiOxfilms achieved a high power conversion efficiency （PCE） of up to 19.93%and demonstrated enhanced stability,maintaining 86.2% efficiency during 500 h of maximum power point tracking under one standard sun ***,with the surface modification using (4-(2,7-dibromo-9,9-dimethylacridin-10（9H）-yl)butyl)p hosphonic acid （DMAcPA）,the device PCE was further promoted to 23.07%,which is the highest value reported for sputtered NiOxbased PSCs so far.

关键词： Perovskite

Machine Learning Techniques in Predicting Hot Deformation Behavior of Metallic materials

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Computer Modeling in engineering & Sciences 2025年第1期142卷 713-732页

作者： Petr Opela Josef Walek Jaromír Kopecek department of metallurgical Technologies Faculty of Materials Science and TechnologyVSB–Technical University of OstravaOstrava70800Czech Republic FZU—Institute of Physics of the Czech Academy of Sciences Prague18200Czech Republic

In engineering practice,it is often necessary to determine functional relationships between dependent and independent *** relationships can be highly nonlinear,and classical regression approaches cannot always provide sufficiently reliable ***,Machine Learning(ML)techniques,which offer advanced regression tools to address complicated engineering issues,have been developed and widely *** study investigates the selected ML techniques to evaluate their suitability for application in the hot deformation behavior of metallic *** ML-based regression methods of Artificial Neural Networks(ANNs),Support Vector Machine(SVM),Decision Tree Regression(DTR),and Gaussian Process Regression(GPR)are applied to mathematically describe hot flow stress curve datasets acquired experimentally for a medium-carbon *** the GPR method has not been used for such a regression task before,the results showed that its performance is the most favorable and practically unrivaled;neither the ANN method nor the other studied ML techniques provide such precise results of the solved regression analysis.

关键词： Machine learning Gaussian process regression artificial neural networks support vector machine hot deformation behavior

Wafer‑Scale Vertical 1D GaN Nanorods/2D MoS_(2)/PEDOT:PSS for Piezophototronic Effect‑Enhanced Self‑Powered Flexible Photodetectors

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Nano-Micro Letters 2025年第3期17卷 102-116页

作者： Xin Tang Hongsheng Jiang Zhengliang Lin Xuan Wang Wenliang Wang Guoqiang Li State Key Laboratory of Luminescent materials and Devices South China University of TechnologyGuangzhou 510640People’s Republic of China department of Electronic materials School of Materials Science and EngineeringSouth China University of TechnologyGuangzhou 510640People’s Republic of China

van der Waals(vdW)heterostructures constructed by lowdimensional(0D,1D,and 2D)materials are emerging as one of the most appealing systems in next-generation flexible ***,hand-stacked vdW-type photodetectors are not compatible with large-areaarray fabrication and show unimpressive performance in self-powered ***,vertical 1D GaN nanorods arrays(NRAs)/2D MoS_(2)/PEDOT:PSS in wafer scale have been proposed for self-powered flexible photodetectors arrays *** as-integrated device without external bias under weak UV illumination exhibits a competitive responsivity of 1.47 A W^(−1)and a high detectivity of 1.2×10^(11)Jones,as well as a fast response speed of 54/71μs,thanks to the strong light absorption of GaN NRAs and the efficient photogenerated carrier separation in type-II ***,the strain-tunable photodetection performances of device have been ***,the device at−0.78%strain and zero bias reveals a significantly enhanced photoresponse with a responsivity of 2.47 A W^(−1),a detectivity of 2.6×10^(11)Jones,and response times of 40/45μs,which are superior to the state-of-the-art self-powered flexible *** work presents a valuable avenue to prepare tunable vdWs heterostructures for self-powered flexible photodetection,which performs well in flexible sensors.

关键词： Vertical nanorod arrays van der Waals heterostructure Piezophototronic effect Self-powered photodetection Flexible sensors

Aligned Ion Conduction Pathway of Polyrotaxane‑Based Electrolyte with Dispersed Hydrophobic Chains for Solid‑State Lithium–Oxygen Batteries

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Nano-Micro Letters 2025年第2期17卷 169-186页

作者： Bitgaram Kim Myeong‑Chang Sung Gwang‑Hee Lee Byoungjoon Hwang Sojung Seo Ji‑Hun Seo Dong‑Wan Kim department of materials Science and engineering Korea University145 Anam‑RoSeongbuk‑GuSeoul 02841Republic of Korea School of Civil Environmental and Architectural EngineeringKorea University145 Anam‑RoSeongbuk‑GuSeoul 02841Republic of Korea materials Science and Chemical engineering Center Institute for Advanced Engineering(IAE)Yongin 17180Republic of Korea

A critical challenge hindering the practical application of lithium–oxygen batteries(LOBs)is the inevitable problems associated with liquid electrolytes,such as evaporation and safety *** study addresses these problems by proposing a modified polyrotaxane(mPR)-based solid polymer electrolyte(SPE)design that simultaneously mitigates solvent-related problems and improves ***-SPE exhibits high ion conductivity(2.8×10^(−3)S cm^(−1)at 25℃)through aligned ion conduction pathways and provides electrode protection ability through hydrophobic chain *** this mPR-SPE into solid-state LOBs resulted in stable potentials over 300 *** situ Raman spectroscopy reveals the presence of an LiO_(2)intermediate alongside Li_(2)O_(2)during oxygen *** situ X-ray diffraction confirm the ability of the SPE to hinder the permeation of oxygen and moisture,as demonstrated by the air permeability *** present study suggests that maintaining a low residual solvent while achieving high ionic conductivity is crucial for restricting the sub-reactions of solid-state LOBs.

关键词： Solid polymer electrolyte Lithium-oxygen batteries Polyrotaxane ion conductivity Hydrophobic chain

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Preparation of Modified Composite Nanofiltration Membrane Synergistically Using Carboxylic Multi- walled Carbon Nanotube and β-cyclodextrin

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Journal of Wuhan University of Technology(materials Science) 2025年第1期40卷 232-239页

作者： LIU Peng MAO Junpeng FANG Yanfeng YU Yunwu CHEN Changxiu TANG Ning WAN Ye GU Yaxin LIU Yunxue WANG Lihua School of materials Science and engineering Shenyang Jianzhu UniversityShenyang 110168China

A new modified blend ultrafiltration(UF)membrane with good hydrophilicity,high porosity and excellent anti-fouling performance was developed by using carboxylic multi-walled carbon nanotube(CMWCNT)as casting solution ***,a composite nanofiltration(NF)membrane with large water flux and good retention rate was fabricated by using the PVDF/CMWCNT blend UF membrane as the substrate,and polyvinyl alcohol(PVA),β-cyclodextrin(β-CD)and polyethylenimine(PEI)as the coating *** results show that with the appropriate addition of CMWCNT in the casting solution,the surface roughness,porosity and recovery rate of the PVDF/CMWCNT blend UF membrane is obviously *** water flux of blend UF membrane is significantly improved when the CMWCNT content increases from 0 wt%to 0.2 wt%.The water flux of blend UF membrane with 0.2 wt%CMWCNT is 162.7 L/(m^(2)·h),which is 44.3%higher than that of the pure PVDF ***β-CD content is 0.8 wt%,the retention rate of Congo red by PVDF/CMWCNT/β-CD composite NF membrane reaches 98.7%,which is 28.3%higher than that of single PVA/PEI modified *** research will provide a new idea and simple method for developing novel high-performance composite NF membranes.

关键词： CMWCNT cyclodextrin nanofiltration membrane

Interfacial Zn2+-solvation regulator towards reversible and stable Zn anode

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Journal of Energy Chemistry 2025年第1期100卷 684-692页

作者： Miao Zhou Xiongbin Luo Hang Li Shan Guo Zhuang Tong Xiaotao Zhou Xu Li Zhaohui Hou Shuquan Liang Guozhao Fang College of Mechanical engineering Key Laboratory of Hunan Province for Advanced Carbon-based Functional Materials Hunan Institute of Science and Technology School of materials Science and engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan Province Central South University College of materials and Metallurgy Guizhou University National Energy Metal Resources and New materials Key Laboratory Central South University

Aqueous zinc-ion batteries （AZIBs） are fundamentally challenged by the instability of the electrode/electrolyte interface,predominantly due to irreversible zinc （Zn） deposition and hydrogen ***,the intricate mechanisms behind the electrochemical discrepancies induced by interfacial Zn2+-solvation and deposition behavior demand comprehensive *** molecules endowed with special functional groups （such as hydroxyl,carboxyl,etc.） have the potential to significantly optimize the solvation structure of Zn2+and regulate the interfacial electric double layer （EDL）.By increasing nucleation overpotential and decreasing interfacial free energy,these functional groups facilitate a lower critical nucleation radius,thereby forming an asymptotic nucleation model to promote uniform Zn ***,this study presents a pioneering approach by introducing trace amounts of n-butanol as solvation regulators to engineer the homogenized Zn （H-Zn） anode with a uniform and dense *** interfacial reaction and structure evolution are explored by in/ex-situ experimental techniques,indicating that the H-Zn anode exhibits dendrite-free growth,no by-products,and weak hydrogen evolution,in sharp contrast to the bare ***,the H-Zn anode achieves a remarkable Zn utilization rate of approximately 20% and simultaneously sustains a prolonged cycle life exceeding 500 ***,the H-Zn//NH4V4O10（NVO） full battery showcases exceptional cycle stability,retaining 95.04%capacity retention after 400 cycles at a large current density of 5 A *** study enlightens solvation-regulated additives to develop Zn anode with superior utilization efficiency and extended operational lifespan.

关键词： Solvation

Effect of Nb-V microalloying on the hot deformation behavior of medium Mn steels

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International Journal of Minerals,Metallurgy and materials 2025年第2期32卷 360-368页

作者： Yumeng Wang Qinyi Guo Bin Hu Haiwen Luo School of metallurgical and Ecological engineering University of Science and Technology BeijingBeijing 100083China

The influence of Nb-V microalloying on the hot deformation behavior and microstructures of medium Mn steel(MMS)was investigated by uniaxial hot compression *** establishing the constitutive equations for simulating the measured flow curves,we successfully constructed deformation activation energy(Q)maps and processing maps for identifying the region of flow *** concluded the following consequences of Nb-V alloying for MMS.(i)The critical strain increases and the increment diminishes with the increasing deformation temperature,suggesting that NbC precipitates more efficiently retard dynamic recrystallization(DRX)in MMS compared with solute Nb.(ii)The deformation activation energy of MMS is significantly increased and even higher than that of some reported high Mn steels,suggesting that its ability to retard DRX is greater than that of the high Mn content.(iii)The hot workability of MMS is improved by narrowing the hot processing window for the unstable flow stress,in which fine recrystallized and coarse unrecrystallized grains are present.

关键词： medium manganese steel niobium-vanadium microalloying flow behavior dynamic recrystallization hot workability

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