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Theoretical design of new bridge-ring insensitive high energy compounds by selected normal Diels-Alder reactions between NH_(2)-substituted oxazoles and NO_(2)/NF_(2)/NHNO_(2)-substituted ethylenes/acetylenes

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Defence technology（防务技术） 2021年第5期17卷 1731-1739页

作者： Qiong Wu Qin-nan Hu Ming-quan Li Ze-wu Zhang Wei-hua Zhu Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology School of Materials Science and EngineeringNanjing Institute of Technology1 Hongjing RoadNanjing211167China Institute for Computation in Molecular and Materials Science and Department of Chemistry Nanjing University of Science and TechnologyNanjing210094China

In this work,NH_(2)-substituted oxazoles and NO_(2)/NF_(2)/NHNO_(2)-substituted ethylenes/acetylenes were designed and used as dienes and dienophiles,respectively,in order to develop new bridge-ring insensitive high energy compounds through the Diels-Alder reaction between *** reaction type,reaction feasibility and performance of reaction products were investigated in detail *** results showed that dienes most possibly react with dienophiles through the HOMO-diene controlled normal Diels-Alder reaction at relatively low energy *** could react with the designed dienes much more easily than other dienophiles,and was employed to further design 29 new bridge-ring energetic *** to high heat of formation,density and oxygen balance,all designed bridge-ring energetic compounds have outstanding detonation performance,16 of them have higher energy than HMX(1,3,5,7-tetranitro-1,3,5,7-tetrazocine)and 2 others even possess comparative energy with the representative of high energy compounds CL-20(2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane).The predicted average h50 value of these bridge-ring energetic compounds is 83 cm,showing their low impact *** NH2 groups could obviously impel the proceeding of Diels-Alder reactions,but would slightly decrease the energy and sensitivity *** all,the new designed bridge-ring compounds have both high energy and low sensitivity,and may be produced through Diels-Alder reactions at relatively low energy *** paper may be helpful for the theoretical design and experiment synthesis of new advanced insensitive high energy compounds.

关键词： Diels-Alder Energetic compounds Oxazole High energy Insensitive

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Spontaneous Phase Separation and Halogen Extraction Effects Enabled Self-Stratified Aqueous Biphasic Zn–I and Zn–Br Batteries

SSRN

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SSRN 2023年

作者： Zhang, Kaiqiang Ge, Yang Yu, Qianchuan Zhang, Pengbo Feng, Yuge Tie, Zuoxiu Ma, Jing Jin, Zhong State Key Laboratory of Coordination Chemistry MOE Key Laboratory of Mesoscopic Chemistry MOE Key Laboratory of High Performance Polymer Materials and Technology Jiangsu Key Laboratory of Advanced Organic Materials School of Chemistry and Chemical Engineering Nanjing University Jiangsu Nanjing210023 China

Self-stratified liquid electrode batteries are considered as a viable solution for large-scale energy storage applications due to their high safety and low cost. However, achieving long-term operation stability with high efficiency of selective ion migration/separation in multiple liquid phases remains a challenge. Here, we report an aqueous biphasic system based on imidazolium ionic liquids (ILs) for constructing membrane-free self-stratified aqueous biphasic Zn–I and Zn–Br batteries. The limited intersolubility and density difference between the IL-dominated catholyte and the aqueous anolyte create a self-stratified liquid-liquid phase separation structure, promising a reliable battery construction. Molecular dynamics simulations identify the internal association of IL, which forms a 3D H–bond network with the C–H···O interaction being the primary contributor, along with a thermodynamic electron transfer of ≤0.03 e. Additionally, a unique π+–bond effect is found between the positively charged imidazole ring of cation and the anion of IL. The as-constructed self-stratified aqueous biphasic Zn–halogen batteries work stably without the necessity of air isolation and exhibit long-term cycling stability (with a capacity mentation of 81.0% for Zn–I batteries and 76.8% for Zn–Br batteries over 1000 cycles), high energy efficiencies (93.5% for Zn–I batteries and 86.7% for Zn–Br batteries), inherent fire resistance and good scalability, demonstrating great potential for large-scale energy storage applications. © 2023, The Authors. All rights reserved.

关键词： Ionic liquids

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Impact of Control Mode on Small-Signal Stability of Hybrid Cascaded UHVDC System 5

Impact of Control Mode on Small-Signal Stability of Hybrid C...

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5th IEEE International Electrical and Energy Conference, CIEEC 2022

作者： He, Yongjie Xiang, Wang Wen, Jinyu Zhou, Jiapei Lin, Chang Zhao, Jingbo Huazhong University of Science and Technology State Key Laboratory of Advanced Electromagnetic Engineering and Technology Wuhan China State Key Laboratory of Advanced Power Transmission Technology Global Energy Interconnection Research Institute Co. Ltd. Beijing China Electric Power Research Institute of State Grid Jiangsu Electric Power Co. Ltd. Nanjing China

ISBN: (数字)9781665411042

ISBN: (纸本)9781665411042

The hybrid cascaded UHVDC technology is especially suitable for large-capacity, long-distance and overhead line power transmission, and is one of the important technical approaches to solve the problem of large-scale renewable energy transmission over long distances. This paper establishes the small-signal model of the hybrid cascaded UHVDC system and validates the accuracy of the small-signal model by comparing the step responses obtained from the small-signal model with those from the detailed electromagnetic transient model. Based on the developed small-signal model, the impact of two different control modes of the system, the master-slave control mode and all constant DC voltage control mode, on the small-signal stability is investigated. © 2022 IEEE.

关键词： HVDC power transmission

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Highly active cobalt-doped nickel sulfide porous nanocones for high-performance quasi-solid-state zinc-ion batteries

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Journal of Energy Chemistry 2022年第3期31卷 237-249,I0008页

作者： Xin Tong Yun Li Ning Pang Yang Zhou Dajun Wu Dayuan Xiong Shaohui Xu Lianwei Wang Paul K.Chu Key Laboratory of Polar Materials and Devices(MOE) Department of ElectronicsEast China Normal UniversityShanghai 200241China Jiangsu Laboratory of Advanced Functional Materials School of Electronic and Information EngineeringChangshu Institute of TechnologyChangshu 215500JiangsuChina School of Physics and Electronic Engineering Hanshan Normal UniversityChaozhou 521041GuangdongChina Department of Physics Department of Materials Science and Engineeringand Department of Biomedical EngineeringCity University of Hong KongKowloon 999077Hong KongChina

Flexible quasi-solid zinc-ion batteries(ZIBs)have large potential in power applications due to the low price,wearable nature,safety,and high ***,the use of transition metal sulfide cathodes in ZIBs has not been studied extensively and the underlying mechanism and theoretical basis of this type of batteries are not well ***,a highly active cobalt-doped Ni_(3)S_(2) porous nanocone framework(C12NS)is designed and demonstrated as a zinc-ion battery ***-principles calculation and experiments reveal that the cobalt dopant improves the battery properties *** assembled flexible zinc-ion battery exhibits a high specific capacity of 453.3 mAh g^(−1)at a current density of 0.4 A g^(−1)in as well as excellent cycling stability as manifested by a capacity retention ratio of 89.5%at a current density of 4 A g^(−1)after 5000 *** peak energy density of 553.9 Wh kg^(−1)is also superior to those of most recently reported NiCo-based zinc-ion *** importantly,the flexible battery can be operated under severe mechanical bending and even continues to work after physical puncturing without showing *** exciting results not only reveal a novel design of cathode materials for zinc-based batteries,but also suggest their immense commercial potential in portable and wearable electronics.

关键词： Zn-ion battery Quasi-solid electrolyte Nanocone Doping Wearable electronic

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Effect of Reverse Pulse Current Density on Microstructure and Properties of Supercritical Ni-Gqds Nanocomposite Coatings

SSRN

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SSRN 2023年

作者： Fang, Cong Lei, Weining Xu, Tianle Zhong, Haoyu He, Bin Kong, Linglei He, Yiliang School of Mechanical Engineering Jiangsu University of Technology Changzhou213001 China Jiangsu Key Laboratory of Advanced Material Design and Additive Manufacturing Jiangsu University of Technology Changzhou213001 China Jiangsu University China

In this study, Ni-GQDs nanocomposite coatings were prepared by double-pulse electrodeposition under supercritical CO2 with graphene quantum dots (GQDs) as the second phase additive. The effects of supercritical CO2 conditions and reverse pulse current density on microstructure, crystal orientation, grain size, GQDs quality, mechanical properties, and corrosion resistance of Ni-GQDs nanocomposite coatings were investigated. The results show that when the reverse pulse current density is 0.8A /dm2, the surface of Ni-GQDs-Ⅱ nanocomposite coating is compact and flat, GQDs is uniformly dispersed in the coating, and GQDs is closely bound to Ni grains. Compared with the coating prepared at normal temperature and pressure. The grain size of the Ni-GQDs-Ⅱ nanocomposite coating is 4.58 nm, and the grain size is reduced by 75.3%. The quality of graphene oxide in the coating was improved. The coating hardness is 867.22 HV, which is significantly increased by 53.7%. The roughness is 0.236 μm, which is significantly reduced by 37.2%. The friction coefficient and volume wear were 0.262 and 3.395×107 μm3, respectively, which were significantly reduced by 27.4% and 57.9%. After electrochemical etching, the self-etching voltage of the coating is -139 mV, and the self-etching current density is 3.19×10-7 A/cm2. The self-corrosion potential was significantly increased by 61.2%, and the self-corrosion current density was significantly decreased by 71.2%. The Rct value and Ndl value of the coating are 31594.53 Ω· cm2 and 0.862, respectively. Significantly increased by 226.2% and 67.1%, respectively. The coating has excellent mechanical properties and corrosion resistance. © 2023, The Authors. All rights reserved.

关键词： Corrosion resistance

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Bridging from the Sequence to Architecture: Graft Copolymers Engineering via Successive Latent Monomer and Grafting-from Strategies

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Chinese Journal of Chemistry 2021年第5期39卷 1273-1280页

作者： Yajie Zhang Xiaohuan Cao Yang Gao Yujie Xie Zhihao Huang Zhengbiao Zhang Xiulin Zhu State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials Jiangsu Key Laboratory of Advanced Functional Polymer Design and ApplicationCollege of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhouJiangsu 215123China State Key Laboratory of Radiation Medicine and Protection Soochow UniversitySuzhouJiangsu 215123China Global Institute bf Software Technology No.5 Qingshan RoadSuzhou National Hi-Tech DistrictSuzhouJiangsu 215163China

The on-demand building copolymer structures,from sequence to architecture,is crucial in understanding the relation between pol-ymer structure and property,meanwhile motivating the innovation of polymer ***,the challenge is conspicuous for,complicated polymer structures from inherently intricate *** this work,copolymers with tailored grafting density and distributions were achieved using successive latent monomer and grafting-from *** hydroxyl group functionalized fu-ran/maleimide adduct(FMOH)was selected as the latent monomer for RAFT polymerization of an array of copolymers with tailored localization of hydroxyl group along the main *** hydroxyI group further initiated the ring opening polymerization(ROP)of L-lactide or ε-caprolactone,resulting in a library of multicomponent copolymers via grafting-from *** initiating efficiency reached to-100% with variable molecular weight(21300-58600 Da)and narrow distributions(Ð_(M)<1.25),indicating that such graft copolymers possessed controlled density and distribution of side chains as its linear *** investigation on thermal properties of the well-defined graft copolymers implied that the precise tailoring over copolymer structures at the molecule level could lead to tunable chemical/physical *** work bridged polymer from sequence to architecture,unveiled a new meth-od in creating graft copolymers with programmable structures and provided the insight into the structure/property relationship.

关键词： Sequence determination Polymers Latent Monomer Polymerization Maleimide

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Rational Design of Plasmonic Metal Nanostructures for Solar Energy Conversion

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CCS Chemistry 2022年第4期4卷 1153-1168页

作者： Yawen Wang Junchang Zhang Wenkai Liang He Yang Tianfu Guan Bo Zhao Yinghui Sun Lifeng Chi Lin Jiang Institute of Functional Nano&Soft Materials Laboratory(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional MaterialsSoochow UniversitySuzhou 215123 School of Physics and Electronic Engineering Changshu Institute of TechnologyChangshu 215500 College of Energy Soochow Institute for Energy and Materials Innovations and Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu ProvinceSoochow UniversitySuzhou 215006

Plasmonic metal nanostructures,possessing unique surface plasmon resonance properties,show excellent capabilities for light trapping and *** this basis,various plasmonic metal nanostructures offer extraordinary opportunities to promote the conversion efficiency of solar energy to electric energy,hydrogen energy or thermal energy,and so *** this review article,we highlight a number of recent research achievements on the rational design of plasmonic metal nanostructures so as to maximize the utilization of the entire solar *** with single metal nanoparticles,multiplex(such as multicompositions,sizes,or shapes)nanoparticle structures emphasize advantages in broadening the absorption range and improving light-utilization *** review concludes with discussions regarding challenges in this research field and proposals of prospects for future directions.

关键词： structural design metal nanostructures multiplexed assembly solar energy conversion

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Experimental realization of quantum walks near synthetic horizons on photonic lattices

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Physical Review Research 2024年第1期6卷 013233-013233页

作者： Runqiu He Yule Zhao Chong Sheng Jiachen Duan Ying Wei Changwei Sun Liangliang Lu Yan-Xiao Gong Shining Zhu Hui Liu National Laboratory of Solid State Microstructures and School of Physics Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing Jiangsu 210093 China Key Laboratory of Quantum Materials and Devices (Southeast University) Ministry of Education Nanjing 211189 China Key Laboratory of Optoelectronic Technology of Jiangsu Province School of Physical Science and Technology Nanjing Normal University Nanjing 210023 China

Entanglement plays crucial roles in quantum optics, providing a prerequisite for these recent unprecedented leaps. Nevertheless, the study of quantum entanglement under the influence of relativity, an important ingredient of quantum optics, still needs to be explored. In parallel, integrated photonic chips, particularly those with the aid of transformation optics, have simulated various relativity phenomena including gravitational lensing and Unruh radiation. However, thus far, studying relativistic quantum optics on this type of platform has not yet occurred. Here, we propose and experimentally realize quantum walks of entangled photons near an emulated Rindler horizon. Remarkably, we find that quantum interference near the synthetic horizon leads to a counterintuitive phenomenon of optical escape. Our study paves the way to a tabletop platform for studying quantum phenomena in various relativistic space-time metrics, and may bring an implication for the test of quantum theory in relativity.

关键词： Classical black holes Integrated optics Quantum optics Quantum simulation Quantum walks Relativistic quantum information Transformation optics

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Rapid and Controllable In-Situ Self-Assembly of Main-Group Metal Nanofilms for Highly Efficient Co2 Electroreduction to Liquid Fuel in Flow Cells

SSRN

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SSRN 2023年

作者： Wang, Miao Wang, Huaizhu Wang, Yaoda Liang, Junchuan Zhu, Mengfei Li, Jiarui Tie, Zuoxiu Jin, Zhong State Key Laboratory of Coordination Chemistry MOE Key Laboratory of Mesoscopic Chemistry MOE Key Laboratory of High Performance Polymer Materials and Technology Jiangsu Key Laboratory of Advanced Organic Materials School of Chemistry and Chemical Engineering Nanjing University Jiangsu Nanjing210023 China

The electrocatalytic reduction of CO2 is a promising pathway to generate renewable fuels and chemicals. However, its advancement is impeded by the absence of electrocatalysts with both high selectivity and stability. Here, we present a scalable in situ thermal evaporation technique for synthesizing series of Bi, In, and Sn nanofilms on carbon felt (CF) substrates with a high-aspect-ratio structure. The resulting main-group metal nanofilms exhibit a homogeneously distributed and highly exposed catalyst surface with ample active sites, thereby promoting mass transport, ad-/desorption of reaction intermediates. Benefited from the unique fractal morphology, the Bi nanofilms deposited on CF exhibit optimal catalytic activities for CO2 electroreduction among the designed metal nanofilms electrodes, with a highest Faradaic efficiency of 96.9% for formate production at -1.3 V vs. reversible hydrogen electrode (RHE) in H-cell. Under an industrially relevant current density of 221.4 mA cm-2 in flow cells, the Bi nanofilms retain a high Faradaic efficiency of 81.7% at -1.1 V (vs. RHE) and a good long-term stability for formate production. Furthermore, a techno-economic analysis (TEA) model shows the potential commercial viability of electrocatalytic CO2 conversion into formate using the Bi nanofilms catalyst. Our results offer a green and convenient approach for in-situ fabrication of stable and inexpensive thin-film catalysts with a fractal structure applicable to various industrial settings. © 2023, The Authors. All rights reserved.

关键词： Efficiency

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In Situ Self-Assembled Bismuth Oxide Fractals Enabling Highly Selective Electrosynthesis of Formate in Flow Cells at High Current Densities

SSRN

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SSRN 2023年

作者： Wang, Miao Gu, Yating Zhu, Mengfei Tie, Zuoxiu Ma, Jing Jin, Zhong State Key Laboratory of Coordination Chemistry MOE Key Laboratory of Mesoscopic Chemistry MOE Key Laboratory of High Performance Polymer Materials and Technology Jiangsu Key Laboratory of Advanced Organic Materials School of Chemistry and Chemical Engineering Nanjing University Jiangsu Nanjing210023 China

In this work, we present a scalable in-situ growth strategy for self-assembling a carbon felt supported Bi2O3 fractal nanostructure (f-Bi2O3/CF), enabling superior performance towards electrocatalytic CO2-to-formate conversion with an optimal Faradaic efficiency of 95.1% at -0.9 V (vs. RHE) in flow cell. More impressively, the current density reaches an industrially relevant 235.7 mA cm-2 and remains a high FEformate of 87.7%. The enhanced catalytic activity of the f-Bi2O3/CF model is attributed to the increased adsorption energy of OCHO* intermediate by changing the surface charge distribution according to DFT calculations. Using the aforementioned method, a series of other CF supported metal oxide catalysts (i.e., CuO, In2O3, and SnO2) are easily obtained. A brief techno-economic analysis (TEA) model demonstrates the economic potential of electrocatalytic hydrogenation of CO2 into formate in flow cell. Our findings offer a promising pathway for the fabrication of stable and accessible fractal structure, applicable to a wide range of scenarios. © 2023, The Authors. All rights reserved.

关键词： Carbon dioxide

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