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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

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Observation of Topological Links Associated with Hopf Insulators in a Solid-State Quantum Simulator

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Chinese physics Letters 2017年第6期34卷 14-18页

作者：袁新星何丽王胜涛邓东灵王飞连文倩王歆张楚珩张慧丽常秀英段路明 center for Quantum Information Institute for Interdisciplinary Information SciencesTsinghua University department of physics University of Michigan condensed matter theory center and Joint Quantum Institute Department of PhysicsUniversity of Maryland

Hopf insulators are intriguing three-dimensional topological insulators characterized by an integer topological invariant. They originate from the mathematical theory of Hopf fibration and epitomize the deep connection between knot theory and topological phases of matter, which distinguishes them from other classes of topological insulators. Here, we implement a model Hamiltonian for Hopf insulators in a solid-state quantum simulator and report the first experimental observation of their topological properties, including nontrivial topological links associated with the Hopf fibration and the integer-valued topological invariant obtained from a direct tomographic measurement. Our observation of topological links and Hopf fibration in a quantum simulator opens the door to probe rich topological properties of Hopf insulators in experiments. The quantum simulation and probing methods are also applicable to the study of other intricate three-dimensional topological model Hamiltonians.

关键词： Observation of Topological Links Associated with Hopf Insulators in a Solid-State Quantum Simulator

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Combined effect of the transition layer and interfacial coupling on the properties of ferroelectric bilayer film

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Chinese physics B 2009年第4期18卷 1658-1664页

作者：孙普男崔莲吕天全 center of condensed matter Science and Technology Harbin Institute of Technology physics department Heilongjiang University

Within the framework of modified Ginzburg Landau-Devonshire phenomenological theory, a ferroelectric bilayer film with a transition layer within each constituent film and an interfacial coupling between two materials has been studied. Properties including the Curie temperature and the spontaneous polarization of a bilayer film composed of two equally thick ferroelectric constituent films are discussed. The results show that the combined effect of the transition layer and the interracial coupling plays an important role in explaining the interesting behaviour of ferroelectric multilayer structures consisting of two ferroelectrie materials.

关键词： ferroelectric bilayer film spontaneous polarization Curie temperature phase transition

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Two-dimensional silicon-carbon hybrids with a honeycomb lattice: New family for two-dimensional photovoltaic materials

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Science China(physics,Mechanics & astronomy) 2015年第10期58卷 81-88页

作者： ZHANG Jin REN Jun FU HuiXia DING ZiJing LI Hui MENG Sheng Beijing National Laboratory for condensed matter physics Institute of Physics Chinese Academy of Sciences department of physics Tsinghua University Collaborative Innovation center of Quantum matter

We predict a series of new two-dimensional(2D) inorganic materials made of silicon and carbon elements(2D SixC1?x) based on density functional theory. Our calculations on optimized structure, phonon dispersion, and finite temperature molecular dynamics confirm the stability of 2D SixC1?x sheets in a two-dimensional, graphene-like, honeycomb lattice. The electronic band gaps vary from zero to 2.5 e V as the ratio x changes in 2D SixC1?x changes, suggesting a versatile electronic structure in these sheets. Interestingly, among these structures Si0.25C0.75 and Si0.75C0.25 with graphene-like superlattices are semimetals with zero band gap as their ? and ?* bands cross linearly at the Fermi level. Atomic structural searches based on particle-swarm optimization show that the ordered 2D SixC1?x structures are energetically favorable. Optical absorption calculations demonstrate that the 2D silicon-carbon hybrid materials have strong photoabsorption in visible light region, which hold promising potential in photovoltaic applications. Such unique electronic and optical properties in 2D SixC1?x have profound implications in nanoelectronic and photovoltaic device applications.

关键词： 2D Si-C hybrids electronic structure photovoltaic materials first-principles calculations

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Structural phase transition and metallization in compressed SrC_2

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Chinese Science Bulletin 2014年第36期59卷 5269-5271页

作者： Yan-Ling Li Rajeev Ahuja Hai-Qing Lin School of physics and Electronic Engineering Jiangsu Normal University condensed matter theory Group Department of Physics and Astronomy Uppsala University 751 20 Uppsala Sweden Beijing Computational Science Research center

The structural, dynamical, and electronic properties of compressed Sr C2 were systematically investigated up to 200 GPa by using ab initio method. Three new phases are obtained by means of evolutionary algorithm. The confirmed most stable structure has C2/c symmetry at zero pressure, which transforms into an orthorhombic Cmcm phase at 4.5 GPa, followed by another orthorhombic Immm phase, which is stabilized at wide pressure range of 21.5–123.5 GPa, and then transformed into Mg B2-type phase(space group, P6/mmm). Although Sr C2 has similar structural transformation to that of compressed Ca C2, Sr C2 holds small electron–phonon coupling,which leads to its low superconducting critical temperature(only 1.8 K).

关键词：结构相变压缩金属化从头计算方法超导临界温度电子特性压力范围进化算法

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Tunneling magnetoresistance of the double spin-filter junctions at nonzero bias

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Science China(physics,Mechanics & astronomy) 2003年第2期46卷 122-130页

作者：谢征微李伯臧 Institute of physics and center for condensed matter physics Chinese Academy of SciencesBeijing 100080China Department of PhysicsSichuan Normal UniversityChengdu 610066China Institute of physics and center for condensed matter physics Chinese Academy of SciencesBeijing 100080China

A recent theoretical estimation indicated that the NM/FI/FI/NM double spin-filter junction (DSFJ, here the NM and FI represent the nonmagnetic electrode and the ferromagnetic insulator (semiconductor) spacer, respectively) could have very high tunneling magnetoresistance (TMR) at zero bias. To meet the requirement in research and application of the magnetoresistance devices, we have calculated the dependences of tunneling magnetoresistance of DSF J on the bias (volt-age), the thicknesses of ferromagnetic insulators (semiconductors) and the average barrier height. Our results show that except its very high value, the TMR of DSFJ does not decrease montonously and rapidly with rising bias, but increase slowly at first and decrease then after having reached a maximum value. This feature is in distinct contrast to the ordinary magnetic tunnel junction FM/NI/FM (FM and NI denote the ferromagnetic electrode and the nonmagnetic insulator (semiconductor) spacer, respectively), and is of benefit to the use of DSFJ as a magnetoresistance device.

关键词： magnetic tunnel junction, double spin-filter junction, tunneling magnetoresistance, nonzero bias.

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Quantum Phases of Pancharatnam Type for a General Spin in a Time-Dependent Magnetic Field

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Chinese physics Letters 1997年第11期14卷 801-804页

作者： ZHAO Yue-gang LI Bo-zang department of physics Peking UniversityBeijing 100871 Institute of physics&center for condensed matter physics Chinese Academy of SciencesBeijing 100080

Based on the quantum invariant theory,the quantum phases,including the total phase as well as its dynamical and geometric parts,of Pancharatnam type are derived for a general spin in a time-dependent magnetic field,wi... 详细信息

关键词： quantum geometric invariant

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Transparent conductive reduced graphene oxide thin films produced by spray coating

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Science China(physics,Mechanics & astronomy) 2015年第1期58卷 42-46页

作者： SHI HongFei WANG Can SUN ZhiPei ZHOU YueLiang JIN KuiJuan YANG GuoZhen Beijing National Laboratory for condensed matter physics Institute of Physics Chinese Academy of Sciences department of Micro- and Nanosciences Aalto University Collaborative Innovation center of Quantum matter

Reduced graphene oxide thin films were fabricated on quartz by spray coating method using a stable dispersion of reduced graphene oxide in N,*** dispersion was produced by chemical reduction of graphene oxide,and the film thickness was controlled with the amount of spray *** measurements revealed that the thin films have near-atomically flat *** chemical and structural parameters of the samples were analyzed by Raman and XPS *** was found that the thin films show electrical conductivity with good optical transparency in the visible to near infrared *** sheet resistance of the films can be significantly reduced by annealing in vacuum and reach 58 k?with a light transmittance of 68.69%at 550 *** conductive transparent properties of the reduced graphene oxide thin films would be useful to develop flexible electronics.

关键词： reduced graphene oxide transparent conductive film spray coating

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Macroscopic Quantum Coherence in Magnetic Molecular Clusters

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Chinese physics Letters 2001年第5期18卷 687-689页

作者： JIN Yan-Hong NIE Yi-Hang LIANG Jiu-Qing PU Fu-Cho Institute of physics and center for condensed matter physics Chinese Academy of SciencesBeijing 100080 Institute of Theoretical physics and department of physics Shanxi UniversityTaiyuan 030006

The oscillation of tunnel splitting in Fe8 molecular clusters is obtained as a function of magnetic field applied along the hard axis by means of instanton method with both semiclassical treatment and the effective potential field description of quantum spin *** theoretical splittings of the instanton method are compared with the numerical result by diagonalization of spin Hamilton operator and experimental *** taking the appropriate parameters,our theory formula yields the result as the same as the experimental observation.

关键词： splitting instant oscillation

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Machine learning assisted derivation of minimal low-energy models for metallic magnets

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npj Computational Materials 2023年第1期9卷 353-364页

作者： Vikram Sharma Zhentao Wang Cristian D.Batista department of physics and astronomy The University of TennesseeKnoxvilleTN 37996USA School of physics and astronomy University of MinnesotaMinneapolisMN 55455USA Quantum condensed matter Division and Shull-Wollan center Oak Ridge National LaboratoryOak RidgeTN 37831USA Present address:center for Correlated matter and School of physics Zhejiang UniversityHangzhou 310058China

We consider the problem of extracting a low-energy spin Hamiltonian from a triangular Kondo Lattice Model(KLM).The non-analytic dependence of the effective spin-spin interactions on the Kondo exchange excludes the use of perturbation theory beyond the second *** then introduce a Machine Learning(ML)assisted protocol to extract effective two-and four-spin *** resulting spin model reproduces the phase diagram of the original KLM as a function of magnetic field and single-ion anisotropy and reveals the effective four-spin interactions that stabilize the field-induced skyrmion crystal ***,this model enables the computation of static and dynamical properties with a much lower numerical cost relative to the original KLM.A comparison of the dynamical spin structure factor in the fully polarized phase computed with both models reveals a good agreement for the magnon dispersion even though this information was not included in the training data set.

关键词： Kondo dynamical derivation

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