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Molecule‑Level Multiscale Design of Nonflammable Gel Polymer Electrolyte to Build Stable SEI/CEI for Lithium Metal Battery

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Nano-Micro Letters 2025年第1期17卷 404-423页

作者： Qiqi Sun Zelong Gong Tao Zhang Jiafeng Li Xianli Zhu ruixiao Zhu Lingxu Wang Leyuan Ma Xuehui Li Miaofa Yuan Zhiwei Zhang Luyuan Zhang Zhao Qian Longwei Yin rajeev Ahuja Chengxiang Wang Key Laboratory for Liquid‑Solid Structural Evolution and Processing of Materials(Ministry of Education) School of Materials Science and EngineeringShandong UniversityJinan 250061People’s Republic of China Condensed Matter Theory Department of Physics and AstronomyUppsala UniversityUppsala 75120Sweden

The risk of flammability is an unavoidable issue for gel polymer electrolytes(GPEs).Usually,flameretardant solvents are necessary to be used,but most of them would react with anode/cathode easily and cause serious interfacial instability,which is a big challenge for design and application of nonflammable ***,a nonflammable GPE(SGPE)is developed by in situ polymerizing trifluoroethyl methacrylate(TFMA)monomers with flame-retardant triethyl phosphate(TEP)solvents and LiTFSI–LiDFOB dual lithium *** is strongly anchored to PTFMA matrix via polarity interaction between-P=O and-CH_(2)CF_(3).It reduces free TEP molecules,which obviously mitigates interfacial reactions,and enhances flame-retardant performance of TEP *** TEP molecules are also inhibited in solvation of Li^(+),leading to anion-dominated solvation sheath,which creates inorganic-rich solid electrolyte interface/cathode electrolyte interface *** coordination structure changes Li^(+)transport from sluggish vehicular to fast structural transport,raising ionic conductivity to 1.03 mS cm^(-1) and transfer number to 0.41 at 30℃.The Li|SGPE|Li cell presents highly reversible Li stripping/plating performance for over 1000 h at 0.1 mA cm^(−2),and 4.2 V LiCoO_(2)|SGPE|Li battery delivers high average specific capacity>120 mAh g^(−1) over 200 *** study paves a new way to make nonflammable GPE that is compatible with Li metal anode.

关键词： Anchoring effect Nonflammable gel electrolyte In situ cross-linked Electrode-electrolyte interface Li metal battery

Metallized siligraphene nanosheets （SiC7） as high capacity hydrogen storage materials

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Nano research 2018年第7期11卷 3802-3813页

作者： Syeda r. Naqvi Tanveer Hussain Wei Luo rajeev Ahuja Condensed Matter Theory Group Department of Physics and Astronomy Box 516 Uppsala University S-75120 Uppsala Sweden Applied Materials Physics Department of Materials and Engineering Royal Institute of Technology (ICFH) S-10044 Stockholm Sweden Centre for Theoretical and Computational Molecular Science Australian Institute for Bioengineering and Nanotechnology The University of Queensland Brisbane Old 4072 Australia

A planar honeycomb monolayer of siligraphene （SIC7） could be a prospective medium for clean energy storage due to its light weight, and its remarkable mechanical and unique electronic properties. By employing van der Waals- induced first principles calculations based on density functional theory （DFT）, we have explored the structural, electronic, and hydrogen （H2） storage characteristics of SiC7 sheets decorated with various light metals. The binding energies of lithium （Li）, sodium （Na）, potassium （K）, magnesium （Mg）, calcium （Ca）, scandium （Sc）, and titanium （Ti） dopants on a SiC7 monolayer were studied at various doping concentrations, and found to be strong enough to counteract the metal clustering effect. We further verified the stabilities of the metallized SiC7 sheets at room temperature using ab initio molecular dynamics （MD） simulations. Bader charge analysis revealed that upon adsorption, due to the difference in electronegativity, all the metal adatorns donated a fraction of their electronic charges to the SiC7 sheet. Each partially charged metal center on the SiC7 sheets could bind a maximum of 4 to 5 H2 molecules. A high H2 gravimetric density was achieved for several dopants at a doping concentration of 12.50%. The H2 binding energies were found to fall within the ideal range of 0.2-0.6 eV. Based on these findings, we propose that metal-doped SiC7 sheets can operate as efficient H2 storage media under ambient conditions.

关键词： dean energy functionalization binding characteristics dopants

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

How will Benthic Foraminifera respond to Warming and Changes in Productivity ?: A Laboratory Culture Study on Cymbaloporetta plana

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Acta Geologica Sinica(English Edition) 2019年第1期93卷 175-182页

作者： KUrTArKAr r.Sujata SArASWAT rajeev KAITHWAr Amrata NIGAM rajiv Micropaleontology Laboratory Geological Oceanography Division National Institute of Oceanography

Anthropogenic activities are likely to cause global warming. Global warming will affect marine productivityand thus food availability for marine organisms. Both the seawater temperature and food availability affect benthicforaminifera, the most abundant marine calcareous microorganisms. Therefore, a laboratory culture experiment wasconducted on Cymbaloporetta plana to understand the coupled effect of temperature(25°C, 27°C, 30°C) and food(102±5,203±9, 305±14, 407±18, 508±23 diatom cells). At all temperatures, growth increased with increase in food. The specimenssubjected to 27°C temperature attained the maximum growth and those subjected to 25°C were the smallest. All specimensfed with 508±23 cells reproduced, 0 irrespective of temperature. Of all the specimens without food, 40% at 27°C and 20% at25°C reproduced, whereas specimens subjected to 30°C did not reproduce. The 100% rate of reproduction at 27°C suggeststhat it is the optimum temperature for growth and reproduction. All the specimens at 30°C and without additional food,died, whereas at 25°C and 27°C, the mortality rate was 80% and 60%, respectively. The limited growth and reproductionwith decreasing food clearly indicates that food availability also controls the growth and reproduction of shallow waterbenthic foraminifer C. plana. Therefore, warming coupled with decreasing productivity is likely to severely affect thegrowth and abundance of shallow water benthic foraminifera.

关键词： Cymbaloporetta plana culture experiment temperature food reproduction

Efficient ID-based proxy multi-signature scheme secure in random oracle

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Frontiers of Computer Science 2012年第4期6卷 421-428页

作者： rajeev Anand SAHU Sahadeo PADHYE Department of Mathematics Motilal Nehru National Institute of TechnologyAllahabad-211004India

Proxy signature schemes enable an entity to del- egate its signing rights to any other party, called proxy signer. As a variant of proxy signature primitive, proxy multi- signature allows a group of original signers to delegate their signing capabilities to a single proxy signer in such a way that the proxy signer can sign a message on behalf of the group of original signers. We propose a concrete ID-based proxy multi-signature scheme from bilinear pairings. The proposed scheme is existential unforgeable against adaptively chosen message and given ID-attack in random oracle model under the computational Diltie-Hellman （CDH） assumption. The fascinating property of new scheme is that the size of a proxy multi-signature is independent of the number of original sign- ers. Furthermore the proposed scheme is simple and com- putationally more efficient than other ID-based proxy multi- signature schemes.

关键词： ID-based signature scheme bilinear pairings,proxy multi-signature computational Diffie-Hellman prob-lem (CDHP) random oracle

Design and Energy Estimation of QCA Based Simple Data Path Selector Cum router Unit for Nano Communication

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China Communications 2022年第11期19卷 231-240页

作者： Angshuman Khan rajeev Arya Department of Electronics and Communication Engineering National Institute of Technology PatnaBihar 800005India Department of Electronics and Communication Engineering University of Engineering and ManagementJaipurRajasthan 303807India

Quantum dot cellular automata(QCA)is promising nanotechnology due to the three main advantages:faster speed,nanoscale size,and ultrasmall power *** paper proposed a simple data path selector cum router as the‘multiplexerchannel-demultiplexer’unit using QCA,an unavoidable building block of nano communication.A Simple 2×2 block and the extended 4×4 block of data path selectors have been proposed in this *** layouts of the proposed designs have been verified in QCADesigner,and the energy dissipation has been evaluated using two tools,QCAPro and QCQDesigner-E(QDE).The suggested designs reached a significant improvement in cell complexity(cell count)and covered area over the existing *** precise,the proposed 2×2(4×4)block shows 86%(63%)lower cell complexity and 87%(37%)smaller area than the prior reported similar *** addition,the currently reported 2×2(4×4)unit has 86%(60%)lower QDE based energy dissipation compared with prior reported designs.

关键词： nanocommunication quantum dot cellular automata router switch

Solution and Thermodynamic Studies on Binary and Ternary Complexes of Lanthanides

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Journal of rare Earths 2005年第4期23卷 389-396页

作者： rajeev Kumar Udai P Singh Department of Chemistry Indian Institute of Technology Roorkee Roorkee-247667 IndiaDepartment of Chemistry Indian Institute of Technology Roorkee Roorkee-247667 India

The interactions of La（ Ⅲ ）, Pr（ Ⅲ ）, Nd（ Ⅲ ）, Sm（ Ⅲ ）, Eu（Ⅲ）, Gd（ Ⅲ ）, Dy（ Ⅲ ）, and Yb（ Ⅲ ） with cytosine, 5-bromocytosine, 5-azacytosine and 5-flurocytosine as primary ligands （L） and guanine （A） as secondary ligand for both binary （ 1 ： 1 ） as well as ternary （ 1 ： 1 ： 1 ） systems were investigated by potentiometric equilibrium measurements at 25, 35 and 45 ℃ in aqueous solution （ionic strength, μ = 0.1 mol·dm^-3 NaNO3）. The stability constants of the binary （ 1 ： 1 ） and ternary （ 1 ： 1 ： 1 ） metal-ligand complexes follow the following order La 〈 Pr 〈 Nd 〈 Sm 〈 Eu 〉 Gd 〈 Dy 〉 Yb. results also indicate that the ternary lanthanide complexes of La（Ⅲ）, Pr（Ⅲ）, Nd（Ⅲ）, Sm（Ⅲ）, Eu（Ⅲ）, Gd（Ⅲ）, Dy（Ⅲ）, and Yb（ Ⅲ ） are more stable than corresponding binary lanthanide complexes. The enthalpy （△Hf^o） and entropy （△Sf^o） changes for the formation of binary and ternary complexes were calculated from temperature coefficient data. The △△Sf^o values are positive for all the metal ligand systems. The negative △△Hf^o values indicate the extra stability of the ternary complexes by the exothermic enthalpy changes （△△Sf^o = △TSf^o - △BSf^o and △△Hf^o = △THf^o - △BHf^o where △TSf^o, △THf^o and △BSf^o, △BHf^o are the entropy and enthalpy values associated with the ternary and binary complexes, respectively）. It was also proposed that the guanine is bonded to metal ions through N1/C6 = O and N7 whereas cytosine and its derivatives are bonded through N3 atoms in ternary complexes.

关键词： lanthanide solution studies cytosine thermodynamic properties rare earths

Evaluating the Impact of Prediction Techniques: Software reliability Perspective

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Computers, Materials & Continua 2021年第5期67卷 1471-1488页

作者： Kavita Sahu Fahad A.Alzahrani r.K.Srivastava rajeev Kumar Department of Computer Science Dr.Shakuntala Misra National Rehabilitation UniversityLucknow226017India Department of Computer Engineering College of Computer and Information SystemsUmm Al-Qura UniversityMakkah21955Saudi Arabia Department of Computer Application Shri Ramswaroop Memorial UniversityBarabanki225003India Department of Information Technology Babasaheb Bhimrao Ambedkar UniversityLucknow226025India

Maintaining software reliability is the key idea for conducting quality *** can be done by having less complex *** developers and other experts have made signicant efforts in this context,the level of reliability is not the same as it should ***,further research into the most detailed mechanisms for evaluating and increasing software reliability is essential.A signicant aspect of growing the degree of reliable applications is the quantitative assessment of *** are multiple statistical as well as soft computing methods available in literature for predicting reliability of ***,none of these mechanisms are useful for all kinds of failure datasets and *** nding the most optimal model for reliability prediction is an important *** paper suggests a novel method to substantially pick the best model of reliability *** method is the combination of analytic hierarchy method(AHP),hesitant fuzzy(HF)sets and technique for order of preference by similarity to ideal solution(TOPSIS).In addition,using the different iterations of the process,procedural sensitivity was also performed to validate the *** ndings of the software reliability prediction models prioritization will help the developers to estimate reliability prediction based on the software type.

关键词： Software reliability reliability prediction prediction techniques hesitant-fuzzy-AHP hesitant-fuzzy-TOPSIS

A novel slot scheduling technique for duty-cycle based data transmission for wireless sensor network

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Digital Communications and Networks 2022年第3期8卷 351-358页

作者： Yogesh Tripathi Arun Prakash rajeev Tripathi Department of Electronics and Communication Engineering Motilal Nehru National Institute of Technology AllahabadPrayagraj211004India

The duty cycling process involves turning a radio into an active and dormant state for conserving energy. It is a promising approach for designing routing protocols for a resource-constrained Wireless Sensor Networks (WSNs). In the duty cycle-based WSNs, the network lifetime is improved and the network transmission is increased as compared to conventional routing protocols. In this study, the active period of the duty cycle is divided into slots that can minimize the idle listening problem. The slot scheduling technique helps determine the most efficient node that uses the active period. The proposed routing protocol uses the opportunistic concept to minimize the sender waiting problem. Therefore, the forwarder set will be selected according to the node's residual active time and energy. Further, the optimum routing path is selected to achieve the minimum forwarding delay from the source to the destination. Simulation analysis reveals that the proposed routing scheme outperforms existing schemes in terms of the average transmission delay, energy consumption, and network throughput.

关键词： Duty cycle Energy model Wireless sensor network Slot scheduling technique