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Molecular Chaperone-Dependent Polymer Translocation through Nanopores: The Effects of Chaperone Concentration and Chaperone-Polymer Interaction

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Chinese Journal of Polymer Science 2024年第1期42卷 125-132,I0011页

作者： Chang-sheng Zuo kang Wang li-Zhen Sun Ting-Ting Sun Department of Physics Zhejiang University of Science and TechnologyHangzhou 310023China Department of Applied Physics Zhejiang University of TechnologyHangzhou 310014China

The polymer translocation through a nanopore from a donor space(or named cis side) to a receiver space(trans side) in the chaperone-induced crowded environment has attracted increasing attention in recent years due to its significance in biological systems and technological applications. In this work, we mainly focus on the effects of chaperone concentration and chaperone-polymer interaction on the polymer translocation. By assuming the polymer translocation to be a quasi-equilibrium process, the free energy F of the polymer can be estimated by Rosenbluth-Rosenbluth method and then the translocation time τ can be calculated by Fokker-Plank equation based on the obtained free energy landscape. Our calculation results show that the translocation time can be controlled by independently tuning the chaperone concentration and chaperone-polymer interaction at the cis side or the trans side. There exists a critical chaperone-polymer attraction ε~*=-0.2 at which the volume exclusion and interaction effects of the chaperone can balance each other. Additionally, we also find that at large chaperone-polymer attraction, the translocation time is mainly governed by the diffusion coefficient of the polymer.

关键词： Polymer translocation Rosenbluth-Rosenbluth method Fokker-Plank equation Free energy landscapes

Tackling the proton limit under industrial electrochemical CO_(2)reduction by a local proton shuttle

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Carbon Energy 2024年第4期6卷 233-243页

作者： Tianye Shao kang Yang sheng Chen Min Zheng Ying Zhang Qiang li Jingjing Duan MIIT Key Laboratory of Thermal Control of Electronic Equipment School of Energy and Power EngineeringSchool of Chemistry and Chemical EngineeringNanjing University of Science and TechnologyNanjingChina School of Chemical Engineering and Advanced Materials The University of AdelaideAdelaideSouth AustraliaAustralia

Industrial CO_(2)electroreduction has received tremendous attentions for resolution of the current energy and environmental crisis,but its performance is greatly limited by mass transport at high current *** this work,an ion‐polymer‐modified gas‐diffusion electrode is used to tackle this proton *** is found that gas diffusion electrode‐Nafion shows an impressive performance of 75.2%Faradaic efficiency in multicarbon products at an industrial current density of 1.16 A/cm^(2).Significantly,in‐depth electrochemical characterizations combined with in situ Raman have been used to determine the full workflow of protons,and it is found that HCO_(3)^(−)acts as a proton pool near the reaction environment,and HCO_(3)^(−)and H_(3)O^(+)are local proton donors that interact with the proton shuttle−SO_(3)^(−)from *** rich proton hopping sites that decrease the activation energy,a“Grotthuss”mechanism for proton transport in the above system has been identified rather than the“Vehicle”mechanism with a higher energy ***,this work could be very useful in terms of the achievement of industrial CO_(2)reduction fundamentally and practically.

关键词： industrial CO_(2)electroreduction proton donor proton pool proton shuttle proton transport mechanism

CO_(2)flooding in shale oil reservoir with radial borehole fracturing for CO_(2)storage and enhanced oil recovery

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Petroleum Science 2024年第1期21卷 519-534页

作者： Jia-Cheng Dai Tian-Yu Wang Jin-Tao Weng kang-Jian Tian li-Ying Zhu Gen-sheng li State Key Laboratory of Petroleum Resources and Prospecting China University of PetroleumBeijing102249China China National Oil and Gas Exploration and Development Company limited Beijing100034China

This study introduces a novel method integrating CO_(2)flooding with radial borehole fracturing for enhanced oil recovery and CO_(2)underground storage,a solution to the limited vertical stimulation reservoir volume in horizontal well fracturing.A numerical model is established to investigate the production rate,reservoir pressure field,and CO_(2)saturation distribution corresponding to changing time of CO_(2)flooding with radial borehole fracturing.A sensitivity analysis on the influence of CO_(2)injection location,layer spacing,pressure difference,borehole number,and hydraulic fractures on oil production and CO_(2)storage is *** CO_(2)flooding process is divided into four *** in layer spacing will significantly improve oil production rate and gas storage ***,serious gas channeling can occur when the spacing is lower than 20 *** the pressure difference between the producer and injector,the borehole number,the hydraulic fracture height,and the fracture width can also increase the oil production rate and gas storage *** analysis shows that layer spacing and fracture height greatly influence gas storage and oil *** outcomes are expected to provide a theoretical basis for the efficient development of shale oil reservoirs in the vertical direction.

关键词： Shale oil Radial borehole fracturing Embedded discrete fracture model Enhanced oil recovery Carbon storage

Congener-derived template to construct lithiophilic organic-inorganic layer/interphase for high volumetric capacity dendrite-free li metal batteries

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Chinese Chemical Letters 2024年第3期35卷 453-460页

作者： kang Yang Long li Yuanbin Xiao Qiaoli Zhang Chenpeng Xi Borong li Yan Yu Chengkai Yang Key Laboratory of Advanced Materials Technologies International(HongKong Macao and Taiwan)Joint Laboratory on Advanced Materials TechnologiesCollege of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China

The development of lithium-metal batteries(LMBs)is seriously restricted by the out-of-control dendrites growth and infinite volume ***,a pervasive organic-inorganic layer construction strategy is reported for the composite lithium metal anode with congener-derived organic-inorganic solid electrolyte interphase(SEI).In this strategy,the organic-inorganic Ag@polydopamine(Ag@PDA)layer is coated on the arbitrary substrates by a simple two-step *** thin and stable congener-derived SEI is insitu formed with fewer inorganic components and more organic components during charging/*** polydopamine with sufficient adhesion groups and lithiophilic Ag layer realize near-zero nucleation overpotential during lithium *** low interface resistance and stable lithium deposition are ***,the practical areal and volumetric capacities of the composite anode with three-dimensional copper(3DCu)as the substrate are 10 mAh/cm^(2)and 1538 mAh/cm^3(*** mass of anode).The symmetrical cell shows very low polarization voltage(10 mV)and more than 2500 h cycles life at 1 mA/cm^(2)(1 mAh/cm^(2)).The liNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)-based full cells show improved capacity retention(82%)after 100 cycles at 0.5 *** modified lithiophilic anode with congener-derived interphase provides a promising strategy to realize the next-generation dendrite-free LMBs.

关键词： lithium metal anode Congener-derived lithiophilicity Volumetric capacity Organic-inorganic interphase

Enhanced electrochemical performance of li_(1.3)Al_(0.3)Ti_(1.7)(PO_(4))_(3) solid electrolyte by anion doping

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Nano Research 2024年第3期17卷 1465-1472页

作者： Jingrui kang Xu Guo Rui Gu Honglei Hao Yi Tang Jiahui Wang li Jin Hongfei li Xiaoyong Wei Electronic Materials Research Laboratory Key Laboratory of the Ministry of Education&International Center for Dielectric ResearchSchool of Electronic and Information EngineeringXi’an Jiaotong UniversityXi’an 710049China School of Energy and Materials Shanghai Key Laboratory of Engineering Materials Application and EvaluationShanghai Polytechnic UniversityShanghai 201209China

Nowadays,the majority of the studies on the substitution are focused on cations(such as Y^(3+),Ti^(4+),P^(5+),etc.)in li_(1.3)Al_(0.3)Ti_(1.7)(PO_(4))_(3)(LATP),while there are few studies on the substitution of anion O^(2-).In this work,the modified LATP with a series of liCl(LATPClx,x=0.1,0.2,0.3,0.4)additives is prepared to enhance ionic *** successful introduction of Cl-makes the length of the c axis decrease from 20.822(2)to 20.792(1)Å,and the bulk conductivity of 2.13×10^(-3) S·cm^(-1) is achieved in LATPCl_(0.3).Moreover,the Al/Ti-O1/Cl1 and Al/Ti-O_(2)/Cl_(2) distance decrease,while the li1-O_(2)/Cl_(2) distance *** ions migrate more easily in the nanochannel of *** addition,the liCl additive increases the relative density and the grain boundary conductivity of LATPClx ***,a higher ionic conductivity of 2.12×10^(–4) S·cm^(-1) and a low activation energy of 0.30 eV are obtained in LATPCl_(0.3).Correspondingly,the symmetric cell exhibits a low overpotential of±50 mV for over 200 h in LATPCl_(0.3).The solid-state li|LATPCl_(0.3)|NCM811(NCM811=liNi0.8Co0.1Mn0.1O_(2))battery exhibits high initial capacity 185.1 mAh·g^(-1) with a capacity retention rate of 95.4%after 100 cycles at 0.5 *** result suggests that liCl additive is an effective strategy to promote electrochemical properties of LATP solid electrolyte and can be considered for reference to other inorganic solid electrolytes systems.

关键词： li_(1.3)Al_(0.3)Ti_(1.7)(PO_(4))_(3)(LATP)solid electrolyte anion doping ionic conductivity cyclic performance

Catalytic anode surface enabling in situ polymerization of gel polymer electrolyte for stable li metal batteries

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Nano Research 2024年第6期17卷 5216-5223页

作者： Guocheng li kang liang Yuanjian li Xiangrui Duan lin Fu Zhao Cai Zhaofu Zhang Jiangnan Dai Yongming Sun Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074China The Institute of Technological Sciences Wuhan UniversityWuhan 430074China Faculty of Materials Science and Chemistry China University of Geoscience(Wuhan)Wuhan 430074China

Employing quasi-solid-state gel polymer electrolyte(GPE)instead of the liquid counterpart has been regarded as a promising strategy for improving the electrochemical performance of li metal ***,the poor and uneven interfacial contact between li metal anode and GPE could cause large interfacial resistance and electrochemical li stripping/plating inhomogeneity,deteriorating the electrochemical ***,we proposed that the functional component of composite anode could work as the catalyst to promote the in situ polymerization reaction,and we experimentally realized the integration of polymerized-dioxolane electrolyte and li/li_(22)Sn_(5)/liF composite electrode with low interfacial resistance and good stability by in situ catalyzation ***,the reaction kinetics and stability of metallic li anode were significantly *** a demonstration,symmetric cell using such a GPE-li/li_(22)Sn_(5)/liF integration achieved stable cycling beyond 250 cycles with small potential hysteresis of 25 mV at 1 mA·cm^(−2)and 1 mAh·cm^(−2),far outperforming the counterpart regular GPE on pure *** with liNi0.5Co0.3Mn0.2O2,the full cell with the GPE-li/li_(22)Sn_(5)/liF integration maintained 85.7%of the original capacity after 100 cycles at 0.5 C(1 C=200 mA·g^(−1)).Our research provides a promising strategy for reducing the resistance between GPE and li metal anode,and realizes li metal batteries with enhance electrochemical performance.

关键词： catalyzation polymerization interface resistance interfacial stability li metal batteries electrochemical performance

Boosting reversible charging of li-ion batteries at low temperatures by a synergy of propylene carbonate-based electrolyte and defective graphite

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Nano Research 2024年第3期17卷 1491-1499页

作者： Yingqiang Wu Jiao Zhang Jinli liu li sheng Bo Zhang limin Wang Siqi Shi li Wang Hong Xu Xiangming He Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of Sciences(CAS)Changchun 130022China China National Quality Supervision and Inspection Center for Industrial Explosive Materials Nanjing University of Science and TechnologyNanjing 210094China School of Materials Science and Engineering Materials Genome InstituteShanghai UniversityShanghai 200444China

Propylene carbonate(PC)-based electrolytes have exhibited significant advantages in boosting the low-temperature discharging of graphite-based li-ion ***,it is still unclear whether they can improve the charging property and suppress lithium *** this topic is challenging due to the problem of electrochemical *** overcome this issue,we introduced graphite with phase *** results show that the pouch-type full batteries using PC-based electrolyte exhibit steady performance over 500 cycles and can be reversibly charged over 30 times at-20℃ with an average Coulombic efficiency of 99.95%,while the corresponding value for the conventional ethylene carbonate(EC)-based electrolyte sample is only 31.20%.This indicates that the use of PC-based electrolyte significantly suppresses lithium plating during low-temperature *** further demonstrate that the improved performance is mainly attributed to the unique solvation structure,where PF-6more anions participate in solvation,leading to the formation of a stable F-rich solid state electrolyte interface on the graphite surface and a lower reduction tendency of li+*** work inspires new ideas for the design of PC-based electrolytes for low-temperature charging and fast-charging batteries.

关键词： lithium-ion batteries graphite propylene carbonate low-temperature charging

Centered Waves for the Two-dimensional Pseudo-Steady van der Waals Gas Satisfied Maxwell's Law Around a Sharp Corner

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Chinese Annals of Mathematics,Series B 2024年第4期45卷 537-554页

作者： Shuangrong li Wancheng sheng Department of Mathematics Shanghai University Shanghai 200444 China Department of Mathematics Zhejiang University of Science and Technology Department of Mathematics Newtouch Center for Mathematics of Shanghai University Shanghai University

In this paper, the authors study the centered waves for the two-dimensional(2D for short) pseudo-steady supersonic flow with van der Waals gas satisfied Maxwell's law around a sharp corner. In view of the initial value of the specific volume and the properties of van der Waals gas, the centered waves at the sharp corner are constructed by classification. It is shown that the supersonic incoming flow turns the sharp corner by a centered simple wave or a centered simple wave with right-contact discontinuity or a composite wave(jump-fan, fan-jump or fan-jump-fan), or a combination of waves and constant state. Moreover, the critical angle of the sharp corner corresponding to the appearance of the vacuum phenomenon is obtained.

关键词： Centered simple wave Composite wave Two-dimensional Euler equations Van der Waals gas

Incorporating contextual evidence to improve implicit discourse relation recognition in Chinese

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Frontiers of Computer Science 2024年第3期18卷 91-104页

作者： sheng XU Peifeng li Qiaoming ZHU School of Computer Science and Technology Soochow UniversitySuzhou 215000China

The discourse analysis task,which focuses on understanding the semantics of long text spans,has received increasing attention in recent *** a critical component of discourse analysis,discourse relation recognition aims to identify the rhetorical relations between adjacent discourse units(e.g.,clauses,sentences,and sentence groups),called arguments,in a *** works focused on capturing the semantic interactions between arguments to recognize their discourse relations,ignoring important textual information in the surrounding ***,in many cases,more than capturing semantic interactions from the texts of the two arguments are needed to identify their rhetorical relations,requiring mining more contextual *** this paper,we propose a method to convert the RST-style discourse trees in the training set into dependency-based trees and train a contextual evidence selector on these transformed *** this way,the selector can learn the ability to automatically pick critical textual information from the context(i.e.,as evidence)for arguments to assist in discriminating their *** we encode the arguments concatenated with corresponding evidence to obtain the enhanced argument ***,we combine original and enhanced argument representations to recognize their *** addition,we introduce auxiliary tasks to guide the training of the evidence selector to strengthen its selection *** experimental results on the Chinese CDTB dataset show that our method outperforms several state-of-the-art baselines in both micro and macro F1 scores.

关键词： discourse parsing discourse relation recognition contextual evidence selection