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Theoretical study of aromaticity reversal in dimethyldihydropyrene derivatives

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Chinese Journal of Structural Chemistry 2024年第5期43卷 8-10页

作者： Fangwen Peng Zhen Luo Yingjin ma Haibo ma School of Chemistry and Chemical Engineering Nanjing UniversityNanjing210023China Computer Network Information Center Chinese Academy of SciencesBeijing100190China Qingdao Institute for Theoretical and Computational Sciences School of Chemistry and Chemical EngineeringShandong UniversityQingdaoShandong266237China

Aromaticity has always been an intriguing chemistry topic,which is considered to have close relations with materials'stability and chemical reactivity due to special energy *** conjugated cycles,Hückel's rule,proposed in 1931,suggests that annulenes having[4n+2]and[4n]πelectrons present aromatic and antiaromatic characters with closed and open electronic configurations,respectively[1].

关键词： Hückel aromatic reactivity

Armoring lithium metal anode with soft±rigid gradient interphase toward high-capacity and long-life all-solid-state battery

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Green Energy & Environment 2024年第8期9卷 1279-1289页

作者： Rui Zhang Biao Chen Yuhan ma Yue Li Junwei Sha Liying ma Chunsheng Shi Naiqin Zhao School of materials Science and Engineering and Tianjin Key Laboratory of Composite and Functional materials Tianjin University Joint School of National University of Singapore and Tianjin University International Campus of Tianjin University Department of Chemical and Biomolecular Engineering National University of Singapore Collaborative Innovation Centre of Chemical Science and Engineering

Solid polymer electrolytes （SPEs） are highly promising for realizing high-capacity,low-cost,and safe Li metal ***,the Li dendritic growth and side reactions between Li and SPEs also plague these ***,a fluorinated lithium salt coating （FC） with organicinorganic gradient and soft-rigid feature is introduced on Li surface as an artificial protective layer by the in-situ reaction between Li metal and fluorinated carboxylic *** FC layer can improve the interface stability and wettability between Li and SPEs,assist the transport of Li ions,and guide Li nucleation,contributing to a dendrite-free Li deposition and long-lifespan Li metal *** symmetric cell with FC-Li anodes exhibits a high areal capacity of 1 mah cm-2at 0.5 ma cm-2,and an ultra-long lifespan of 2000 h at a current density of 0.1 m A ***,the full cell paired with the LiFePO4cathode exhibits improved cycling stability,remaining 83.7%capacity after 500 cycles at 1 *** matching with the S cathode,the FC layer can prevent the shuttle effect,contributing to stable and high-capacity Li-S *** work provided a promising way for the construction of stable all-solid-state lithium metal batteries with prolonged lifespan.

关键词： All-solid-state battery Solid polymer electrolyte Li metal anode Li nucleation Interface stability

Non-Fully Conjugated Photovoltaic materials with Y-Series Acceptor Backbone for High-Performance Organic Solar Cells

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Chinese Journal of Chemistry 2024年第11期42卷 1307-1318页

作者： Hairui Bai Qunping Fan Ruijie ma Xia Guo Wei ma maojie Zhang State Key Laboratory for Mechanical Behavior of materials Xi’an Jiaotong UniversityXi’anShaanxi710049 China National Engineering Research Center for Colloidal materials School of Chemistry&Chemical EngineeringShandong UniversityJinanShandong250100 China Department of Electronic and Information Engineering Research Institute for Smart Energy(RISE)The Hong Kong Polytechnic UniversityKowloon999077 Hong KongChina

In the last few years,organic solar cells(OSCs)have made significant progress in photovoltaic performance,mainly due to the innovative development of active layer materials,especially Y-series and related derivatives as acceptors which have become the key factor that boosts the power conversion ***,to achieve high-performance OSCs,an emerging molecular design strategy of applying flexible alkyl units as linkers to construct non-fully conjugated acceptors has been developed and addressed great *** review highlights the non-fully conjugated photovoltaic materials with Y-series backbone that enable high-performance *** OSCs have been achieved by some representative non-fully conjugated material *** related molecular design strategies are discussed in ***,a brief summary and future prospect are provided in advancing the non-fully conjugated photovoltaic materials with Y-series backbone towards the brighter future.

关键词： Organic solar cells All-polymer solar cells Non-fully conjugated photovoltaic materials Power conversion efficiency Polymer acceptors Organicel ectronics

Testing Bell inequality through h→ττ at CEPC

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Chinese Physics C 2024年第10期48卷 59-71页

作者： Kai ma Tong Li Faculty of Science Xi'an University of Architecture and TechnologyXi'an 710055China School of Physics Nankai UniversityTianjin 300071China

The decay of Higgs boson into two spin-1/2 particles provides an ideal system to reveal quantum entanglement and *** e^(+)e^(-) colliders can improve the measurement accuracy of the spin correlation of tau lepton pairs from Higgs boson *** show the testability of Bell inequality through h→ττ at Circular Electron Positron Collider(CEPC).Two realistic methods of testing Bell inequality are investigated,i.e.,Törnqvist's method and Clauser-Home-Shimony-Holt(CHSH)*** the simulation,we consider the detector effects of CEPC including uncertainties for tracks and jets from Z boson in the production of e^(+)e^(-)→*** reconstruction approaches are described to measure quantum entanglement between τ^(+) and τ^(-).Finally,we show the sensitivity of CEPC to Bell inequality violation for the two methods.

关键词： Bell inequality Higgs boson CEPC

Development of a convolutional neural network based geomechanical upscaling technique for heterogeneous geological reservoir

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2111-2125页

作者： Zhiwei ma Xiaoyan Ou Bo Zhang Earth and Environmental Sciences Division Los Alamos National LaboratoryLos AlamosUSA Civil and Environmental Engineering University of AlbertaEdmontonCanada

Geomechanical assessment using coupled reservoir-geomechanical simulation is becoming increasingly important for analyzing the potential geomechanical risks in subsurface geological ***,a robust and efficient geomechanical upscaling technique for heterogeneous geological reservoirs is lacking to advance the applications of three-dimensional(3D)reservoir-scale geomechanical simulation considering detailed geological ***,we develop convolutional neural network(CNN)proxies that reproduce the anisotropic nonlinear geomechanical response caused by lithological heterogeneity,and compute upscaled geomechanical properties from CNN *** CNN proxies are trained using a large dataset of randomly generated spatially correlated sand-shale realizations as inputs and simulation results of their macroscopic geomechanical response as *** trained CNN models can provide the upscaled shear strength(R^(2)>0.949),stress-strain behavior(R^(2)>0.925),and volumetric strain changes(R^(2)>0.958)that highly agree with the numerical simulation results while saving over two orders of magnitude of computational *** is a major advantage in computing the upscaled geomechanical properties directly from geological realizations without the need to perform local numerical simulations to obtain the geomechanical *** proposed CNN proxybased upscaling technique has the ability to(1)bridge the gap between the fine-scale geocellular models considering geological uncertainties and computationally efficient geomechanical models used to assess the geomechanical risks of large-scale subsurface development,and(2)improve the efficiency of numerical upscaling techniques that rely on local numerical simulations,leading to significantly increased computational time for uncertainty quantification using numerous geological realizations.

关键词： Upscaling Lithological heterogeneity Convolutional neural network(CNN) Anisotropic shear strength Nonlinear stressestrain behavior

Immune checkpoint inhibition mediated with liposomal nanomedicine for cancer therapy

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Military Medical Research 2024年第1期11卷 98-114页

作者： Guang-Long ma Wei-Feng Lin Faculty of Medicine Centre for Cancer ImmunologyUniversity of SouthamptonSouthampton SO166YDUK Department of Molecular Chemistry and materials Science Weizmann Institute of Science76100 RehovotIsrael Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191China

Immune checkpoint blockade(ICB)therapy for cancer has achieved great success both in clinical results and on the *** the same time,success drives more attention from scientists to improve ***,only a small portion of patients are responsive to this therapy,and it comes with a unique spectrum of side effects termed immunerelated adverse events(irAEs).The use of nanotechnology could improve ICBs’delivery to the tumor,assist them in penetrating deeper into tumor tissues and alleviate their *** nanomedicine has been investigated and used for decades,and is well-recognized as the most successful nano-drug delivery *** successful combination of ICB with liposomal nanomedicine could help improve the efficacy of ICB *** this review,we highlighted recent studies using liposomal nanomedicine(including new emerging exosomes and their inspired nanovesicles)in associating ICB therapy.

关键词： Liposome Exosome Immune checkpoint blockade(ICB)

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Lifetime-tunable circularly polarized luminescent system based on triplet-to-singlet Förster resonance energy transfer

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Science China Chemistry 2024年第9期67卷 2918-2922页

作者： Zhenyi He Zizhao Huang Xiang ma Key Laboratory for Advanced materials and Feringa Nobel Prize Scientist Joint Research Center Institute of Fine ChemicalsSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China

Circularly polarized luminescence(CPL)materials have received widespread attention due to their remarkable performance and broad ***,current CPL material research primarily focuses on tunable color,intensity,and *** CPL with adjustable lifetime remains a significant ***,a series of CPL polymeric materials with tunable lifetime were obtained by employing phosphorescent terephthalic acid and chiral organic small molecule R/S-BNAF(a luminescent binaphthol derivative)to copolymerize with acrylamide in different *** was verified that this performance results from the different energy transfer efficiency between luminophores with varying ratios of the monomers for *** strategy to realize CPL with tunable lifetime by modulating the energy transfer efficiency will provide a new perspective to broaden the applications of CPL materials.

关键词： circularly polarized luminescence tunable lifetime Förster resonance energy transfer room temperature phosphorescence

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Alloy/layer double hydroxide interphasic synergy via nano-heterointerfacing for highly reversible CO_(2)redox reaction in Li-CO_(2)batteries

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Nano Research 2024年第6期17卷 5206-5215页

作者： Tianzhen Jian Wenqing ma Jiagang Hou Jianping ma Xianhong Li Haiyang Gao Caixia Xu Hong Liu Institute for Advanced Interdisciplinary Research(iAIR) Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of ShandongSchool of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China Kyiv College at Qilu University of Technology Qilu University of Technology(Shandong Academy of Sciences)Jinan 250353China State Key Laboratory of Crystal materials Shandong UniversityJinan 250100China Shandong Sacred Sun Power Sources Co. Ltd.Qufu 273100China

Li-CO_(2)batteries are among the most intriguing techniques for balancing the carbon cycle,but are challenged by the annoyed thermodynamic barrier of the Li_(2)CO_(3)decomposition ***,we demonstrate the electrocatalytic performances of two-dimensional(2D)CoAl-layer double hydroxide(LDH)nanosheets can be significantly improved by trans-dimensional crosslinking with three-dimensional(3D)multilevel nanoporous(MP)-RuCoAl alloy(MP-RuCoAl alloy⊥CoAl-LDH).The MP-RuCoAl alloy⊥CoAl-LDH with multiscale pore channels and abundant nano-heterointerface is directly prepared by controllable etching Al from a Ru-Co-Al master alloy along with simultaneous partial oxidization of Al and Co *** MP-RuCoAl is composed of various intermetallic compounds and Ru with abundant grain boundaries,and forms numerous heterointerface with 2D CoAl-LDH *** multiscale porous metallic network benefits mass and electron transportation as well as discharge product storage and enables a rich multiphase reaction *** situ differential electrochemical mass spectrometry shows that the mass-to-charge ratio in the charging process is~0.733 which is consistent with the theoretical value of 3/4,stating that the reversible co-decomposition of Li_(2)CO_(3)and C can be achieved with the MP-RuCoAl alloy⊥*** Ketjen black(KB)/MP-RuCoAl⊥CoAl-LDH battery demonstrates a high cyclability for over 2270 h(227 cycles)with a lower voltage gap stabilized at~1.3 V at 200 ma·g^(−1).Our findings here provide useful guidelines for developing high efficiency transition metal based electrocatalysts by coupling with conductive porous substrate for impelling the development of practical Li-CO_(2)battery systems.

关键词： heterojunction interface nanoporous Li-CO_(2)battery dealloying

An adaptive energy regulation in a memristive map linearized from a circuit with two memristive channels

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Communications in Theoretical Physics 2024年第3期76卷 42-50页

作者： Feifei Yang Ping Zhou Jun ma School of Science Chongqing University of Posts and TelecommunicationsChongqing 430065China College of Electrical and Information Engineering Lanzhou University of TechnologyLanzhou 730050China Department of Physics Lanzhou University of TechnologyLanzhou 730050China

Nonlinear circuits can show multistability when a magnetic flux-dependent memristor(MFDM) or a charge-sensitive memristor(CSM) is incorporated into a one branch circuit,which helps estimate magnetic or electric field *** this paper,two different kinds of memristors are incorporated into two branch circuits composed of a capacitor and a nonlinear resistor,thus a memristive circuit with double memristive channels is *** circuit equations are presented,and the dynamics in this oscillator with two memristive terms are ***,the memristive oscillator is converted into a memristive map by applying linear transformation on the sampled time series for the memristive *** Hamilton energy function for the memristive oscillator is obtained by using the Helmholtz theorem,and it can be mapped from the field energy of the memristive *** energy function for the dual memristive map is suggested by imposing suitable weights on the discrete energy *** dynamical behaviors of the new memristive map are investigated,and an adaptive law is proposed to regulate the firing mode in the memristive *** work will provide a theoretical basis and experimental guidance for oscillator-to-map transformation and discrete map energy calculation.

关键词： Hamilton energy dual memristive map adaptive energy regulation

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