Zinc-ion batteries(ZIBs)have significant potential for advancements in energy storage systems owing to their high level of safety and theoretical capacity.However,ZIBs face several challenges,such as cathode capacity ...Zinc-ion batteries(ZIBs)have significant potential for advancements in energy storage systems owing to their high level of safety and theoretical capacity.However,ZIBs face several challenges,such as cathode capacity degradation and short cycle life.Ordinary metal–organic frameworks(MOFs)are characterized by high specific surface areas,large pore channels,and controllable structures and functions,making them suitable for use in ZIB cathodes with good performance.However,the insulating properties of MOFs hinder their further development.In contrast,electronic conductive MOFs(EC-MOFs)show high electronic conductivity,which facilitates rapid electron transport and ameliorates the charging and discharging efficiency of ZIBs.This paper introduces the unique conduction mechanism of EC-MOFs and elaborates various strategies for constructing EC-MOFs with high conductivity and stability.Additionally,the synthesis methods of EC-MOF-based cathode materials and their properties in ZIBs are elucidated.Finally,this paper presents a summary and outlook on the advancements of EC-MOFs for ZIB cathodes.This review provides guidance for designing and applying EC-MOFs in ZIBs and other energy storage devices.展开更多
The thermal conductivity of plasma-facing materials(PFM)exposed to intense radiation is a critical concern for the reliable usage of materials in fusion reactors.However,limited research has been performed regarding t...The thermal conductivity of plasma-facing materials(PFM)exposed to intense radiation is a critical concern for the reliable usage of materials in fusion reactors.However,limited research has been performed regarding the thermal conductivity of structures that rapidly change in a short time during collision cascade processes under irradiation.In this study,we employed the tight-binding(TB)method to investigate the electronic thermal conductivity(κ_(e))of tungsten-based systems during various cascading processes.We found thatκ_(e) values sharply decrease within the initial 0.3 picoseconds and then partially recover at a slow pace;this is closely linked to the evolution of defects and microstructural distortions.The increase in the initial kinetic energy of the primary knock-on atom and the presence of a high concentration of hydrogen atoms further decrease theκ_(e) values.Conversely,higher temperatures have a significant positive effect onκ_(e).Furthermore,the presence of a grain boundary∑5[001](130)substantially reducesκ_(e),whereas the absorption effect of point defects by the grain boundary has little influence onκ_(e) during cascades.Our findings provide a theoretical basis for evaluating changes in the thermal conductivity performance of PFMs during their usage in nuclear fusion reactors.展开更多
In two-dimensional bilayer systems,twist-angle-dependent electronic and thermoelectric properties have garnered significant scientific interest in recent years.In this work,based on a combination of density functional...In two-dimensional bilayer systems,twist-angle-dependent electronic and thermoelectric properties have garnered significant scientific interest in recent years.In this work,based on a combination of density functional theory and nonequilibrium Green’s function method,we explore the electronic and thermoelectric properties in blue-phosphorene nanoribbon-based heterojunction(BPNRHJ)with and without blue-phosphorene nanoribbon(BPNR)stack.Our calculations find that the electronic conductance and power factor can be strongly enhanced by the BPNR stack,and their enhancements can be further observed with the twist between the layers.The main reason for this is the electronic hybridization between the layers can provide new transport channels,and the twist can modulate the strength of interlayer electronic hybridization,resulting in extremely violent fluctuations in electron transmission and hence an enhanced power factor.While the phonon thermal conductance exhibits very low dependence on the layer stack and twist.Combining these factors,our results reveal that the thermoelectric performance can be greatly modulated and enhanced in twist bilayer BPNRHJ:the figure of merit will be over 2.5 in 4-4-ZBPNR@ZGNR-AA-8.8∘at 500 K.展开更多
Lithium plating/stripping occurs at the a node/electrolyte interface which involves the flow of electrons from the current collector and the migration of lithium ions from the solid-electrolyte interphase(SEI).The dua...Lithium plating/stripping occurs at the a node/electrolyte interface which involves the flow of electrons from the current collector and the migration of lithium ions from the solid-electrolyte interphase(SEI).The dual continuous rapid transport of interfacial electron/ion is required for homogeneous Li deposition.Herein,we propose a strategy to improve the Li metal anode performance by rationally regulating the interfacial electron density and Li ion transport through the SEI film.This key technique involves decreasing the interfacial oxygen density of biomass-derived carbon host by regulating the arrangement of the celluloses precursor fibrils.The higher specific surface area and lower interfacial oxygen density decrease the local current density and ensure the formation of thin and even SEI film,which stabilized Li^(+)transfer through the Li/electrolyte interface.Moreover,the improved graphitization and the interconnected conducting network enhance the surface electronegativity of carbon and enable uninterruptible electron conduction.The result is continuous and rapid coupled interfacial electron/ion transport at the anode/electrolyte reaction interface,which facilitates uniform Li deposition and improves Li anode performance.The Li/C anode shows a high initial Coulombic efficiency of 98%and a long-term lifespan of over 150cycles at a practical low N/P(negative-to-positive)ratio of 1.44 in full cells.展开更多
Hydride ion(H-)conductors have drawn much attention due to their potential applications in hydrideion-based devices.Rare earth metal hydrides(REH_(x))have fast H-conduction which,unfortunately,is accompanied by detrim...Hydride ion(H-)conductors have drawn much attention due to their potential applications in hydrideion-based devices.Rare earth metal hydrides(REH_(x))have fast H-conduction which,unfortunately,is accompanied by detrimental electron conduction preventing their application as ion conductors.Here,REH_(x)(RE=Nd,Ce,and Pr)with varied grain sizes,rich grain boundaries,and defects have been prepared by ball milling and subsequent sintering.The electronic conductivity of the ball-milled REH_(x)samples can be reduced by 2-4 orders of magnitude compared with the non-ball-milled samples.The relationship of electron conduction and miscrostructures in REH_(x)is studied and discussed based on experimental data and previously-proposed classical and quantum theories.The H-conductivity of all REH_(x)is about 10^(-4)to 10^(-3)S cm^(-1)at room temperature,showing promise for the development of H-conductors and their applications in clean energy storage and conversion.展开更多
SnTe has received considerable attention as an environmentally friendly alternative to the representative thermoelectric material of PbTe.However,excessive hole carrier concentration in SnTe results in an extremely lo...SnTe has received considerable attention as an environmentally friendly alternative to the representative thermoelectric material of PbTe.However,excessive hole carrier concentration in SnTe results in an extremely low Seebeck coefficient and high thermal conductivity,which makes it exhibit relatively inferior thermoelectric properties.In this work,the thermoelectric performance of p-type SnTe is enhanced through regulating its energy band structures and reducing its electronic thermal conductivity by combining Bi doping with CdSe alloying.First,the carrier concentration of SnTe is successfully suppressed via Bi doping,which significantly decreases the electronic thermal conductivity.Then,the convergence and flattening of the valence bands by alloying CdSe effectively improves the effective mass of SnTe while restraining its carrier mobility.Finally,a maximum figure of merit(ZT) of~ 0.87 at 823 K and an average ZT of~ 0.51 at 300-823 K have been achieved in Sn_(0.96)Bi_(0.04)Te-5%CdSe.Our results indicate that decreasing the electronic thermal conductivity is an effective means of improving the performance of thermoelectric materials with a high carrier concentration.展开更多
The high energy density and stability of solid-state lithium metal batteries(SSLMBs)have garnered great attention.Garnet-type oxides,especially Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)(LLZTO),with high ionic conductivity,...The high energy density and stability of solid-state lithium metal batteries(SSLMBs)have garnered great attention.Garnet-type oxides,especially Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)(LLZTO),with high ionic conductivity,wide electrochemical window,and stability to Li metal anode,are promising solid-state electrolyte(SSEs)materials for SSLMBs.However,Li/LLZTO interface issues including high interface resistance,inhomogeneous Li deposition,and Li dendrite growth have hindered the practical application of SSLMBs.Herein,a multi-functional Li–SnF_(2) composite anode with Li,LiF,and Li-Sn alloy was specifically designed and prepared.The composite anode improves the wettability to LLZTO,constructing an intimate contact interface between it and LLZTO.Meanwhile,ionic/electronic conductive paths in situ formed at the interface can effectively uniform Li deposition and suppress Li dendrite.The solid-state symmetric cell exhibits low interface resistance(11Ω·cm^(2)) and high critical current density(1.3 mA·cm^(−2))at 25℃.The full SSLMB based on LiFePO_(4) or LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2) cathode also shows stable cycling performance and high rate capability.This work provides a new composite anode strategy for achieving high-energy density and high-safety SSLMBs.展开更多
Carbon was used as electronic conductive agent, and metasilicic acid lithium (Li<sub>2</sub>SiO<sub>3</sub>) as ionic conductive agent, the two factors were investigated cooperatively. We evalu...Carbon was used as electronic conductive agent, and metasilicic acid lithium (Li<sub>2</sub>SiO<sub>3</sub>) as ionic conductive agent, the two factors were investigated cooperatively. We evaluated their effect by using spherical spinel LiMn<sub>2</sub>O<sub>4</sub> which prepared ourselves as cathode material. Then Li<sub>2</sub>SiO<sub><sub></sub>3</sub>/carbon surface coating on LiMn<sub><sub></sub>2</sub>O<sub>4</sub> (LMO/C/LSO) which Li<sub><sub></sub>2</sub>SiO<sub><sub></sub>3</sub> inside and carbon/Li<sub><sub></sub>2</sub>SiO<sub><sub></sub>3</sub> coated LiMn<sub><sub></sub>2</sub>O<sub><sub></sub>4</sub> (LMO/LSO/C) were prepared, All of materials were characterized by X-ray diffraction (XRD) and electrochemical test;spherical LiMn<sub></sub>2O<sub></sub>4 was characterized by scanning electron microscopy (SEM);and coated materials were characterized by transmission electron microscopy (TEM). While uncoated spinel LiMn<sub><sub></sub>2</sub>O<sub><sub></sub>4</sub> maintained 72% of capacity in 60 cycles by the rate of 0.2C, and LMO/LSO/C showed the best electrochemical performance, 89% of the initial capacity remained after 75 cycles at 0.2C. Furthermore, the rate performance of LMO/LSO/C also improved obviously, about 30 mAh·g<sup>-1</sup> of capacity attained at the rate of 5C, higher than LMO/C/LSO and bare LiMn<sub><sub></sub>2</sub>O<sub><sub></sub>4</sub>.展开更多
Benefiting from the low cost and high abundance of potassium resources,K-based batteries have attracted numerous research interest as a more sustainable battery chemist,particularly when considering the enormous deman...Benefiting from the low cost and high abundance of potassium resources,K-based batteries have attracted numerous research interest as a more sustainable battery chemist,particularly when considering the enormous demand for sustainable energy storage while limiting Li sources for Li-based batteries.However,the much larger size of the K-ion usually leads to the serious electrodes'volumetric expansion with rapid capacity fading,making the pursuit of electrodes for potassium storage with high capacity and high stability a significant challenge.The polymer electrode materials have been considered promising materials to address these issues due to their porous characteristics,insolubility in electrolytes,and flexible structural design at a molecular level.In this review,we outline the recent advancements in redox-active polymer electrodes,including anode and cathode,materials for K-based batteries,including crystalline porous coordination polymers,crystalline covalent organic polymers,amorphous polymers,and polymer composites.We discuss the electrode designs,electrochemical performances,and K-ion storage mechanism,with a focus on their structure-function correlations.With this knowledge,we propose the perspectives and challenges in designing advanced polymer electrode materials for K-based batteries.We expect this review will shed light on the further development of reliable polymer electrode materials.展开更多
Lithium-sulfur(Li-S) batteries and lithium-selenium(Li-Se) batteries,as environmental protection energy storage systems with outstanding theoretical specific capacities and high energy densities,have become the hotspo...Lithium-sulfur(Li-S) batteries and lithium-selenium(Li-Se) batteries,as environmental protection energy storage systems with outstanding theoretical specific capacities and high energy densities,have become the hotspots of current researches.Besides,elemental S(Se) raw materials are widely sourced and their production costs are both low,which make them considered one of the new generations of high energy density electrochemical energy storage systems with the most potential for development.However,poor conductivity of elemental S/Se and the notorious "shuttle effect" of lithium polysulfides(polyselenides) severely hinder the commercialization of Li-S/Se batteries.Thanks to the excellent electrical conductivity and strong absorption of lithium polysulfide(polyselenide) about electronically conducting polymer,some of the above thorny problems have been effectively alleviated.The review presents the fundamental studies and current development trends of common electronically conducting polymers in various components of Li-S/Se batteries,which involves polyaniline(PANI) polypyrrole(PPy),and polythiophene(PTh) with its derivatives,e.g.polyethoxythiophene(PEDOT) and poly(3,4-ethylene dioxythiophene)-poly(styrenesulfonate)(PEDOT:PSS).Finally,the review not only summarizes the research directions and challenges facing the application of electronically conducting polymers,but also looks forward to the development prospects of them,which will provide a way for the practical use of electronically conducting polymers in Li-S/Se batteries with outstanding electrochemical properties in the short run.展开更多
The ZrO2 (9mol% Y2O3) coating was prepared evenly on the surface of MgO partially stabilized zirconia (Mg-PSZ) tube (oxygen sensor probe) by dipping the green Mg-PSZ tube in a ZrO2 (9mol% Y2O3) slurry and then co-fir...The ZrO2 (9mol% Y2O3) coating was prepared evenly on the surface of MgO partially stabilized zirconia (Mg-PSZ) tube (oxygen sensor probe) by dipping the green Mg-PSZ tube in a ZrO2 (9mol% Y2O3) slurry and then co-firing at 1750°C for 8 h. The double-cell method was employed to measure the electronic conductivity parameter and exam the reproducibility of the coated Mg- PSZ tube. The experimental results indicate that the good thermal shock resistance of the Mg-PSZ tube can be retained when the coating thickness is not more than 3.4 μm. The ZrO2 (9mol% Y2O3) coating reduces the electronic conductivity parameter remarka- bly, probably due to the lower electronic conductivity of Y2O,-stabilized ZrO2 than that of MgO-stabilized ZrO2. Moreover, the ZrO2 (9mol% Y2O3) coating can improve the reproducibility and accuracy of the Mg-PSZ tube significantly in the low oxygen measure- ment. The smooth surface feature and lower electronic conductivity of the coated Mg-PSZ tube should be responsible for this im- provement.展开更多
A study on electronic conductivity of CaO-SiO2-Al2O3-FeOxslag system with Wagner polarization technique was carried out.The experimental data show that electronic conductivity is consisted of free electron conductivit...A study on electronic conductivity of CaO-SiO2-Al2O3-FeOxslag system with Wagner polarization technique was carried out.The experimental data show that electronic conductivity is consisted of free electron conductivity and electron hole conductivity and both are related to the content of Fe3+and Fe2+.Free electron conductivity is decreasing and electron hole conductivity is increasing while Fe3+changes to Fe2+.There is a maximum electronic conductivity at some ratio of ferric ions Fe3+to total ion content.Under the experimental conditions,the electronic conductivity is in the range of 10-4—10-2S/cm.展开更多
Low-cost silicon microparticles(SiMP),as a substitute for nanostructured silicon,easily suffer from cracks and fractured during the electrochemical cycle.A novel n-type conductive polymer binder with excellent electro...Low-cost silicon microparticles(SiMP),as a substitute for nanostructured silicon,easily suffer from cracks and fractured during the electrochemical cycle.A novel n-type conductive polymer binder with excellent electronic and ionic conductivities as well as good adhesion,has been successfully designed and applied for high-performance SiMP anodes in lithium-ion batteries to address this problem.Its unique features are attributed to the stro ng electron-withdrawing oxadiazole ring structure with sulfonate polar groups.The combination of rigid and flexible components in the polymer ensures its good mechanical strength and ductility,which is beneficial to suppress the expansion and contraction of SiMP s during the charge/discharge process.By fine-tuning the monomer ratio,the conjugation and sulfonation degrees of the polymer can be precisely controlled to regulate its ionic and electronic conductivities,which has been systematically analyzed with the help of an electrochemical test method,filling in the gap on the conductivity measurement of the polymer in the doping state.The experimental results indicate that the cell with the developed n-type polymer binder and SiMP(~0.5 μm) anodes achieves much better cycling performance than traditional non-conductive binders.It has been considered that the initial capacity of the SiMP anode is controlled by the synergetic effect of ionic and electronic conductivity of the binder,and the capacity retention mainly depends on its electronic conductivity when the ionic conductivity is sufficient.It is worth noting that the fundamental research of this wo rk is also applicable to other battery systems using conductive polymers in order to achieve high energy density,broadening their practical applications.展开更多
By using the space-resolved spectrograph, the K-shell emission from laser-produced plasma was investigated. Electron density profiles along the normal direction of the target surface in aluminum laser-plasmas were obt...By using the space-resolved spectrograph, the K-shell emission from laser-produced plasma was investigated. Electron density profiles along the normal direction of the target surface in aluminum laser-plasmas were obtained by two different diagnostic methods and compared with the profiles from the theoretical simulation of hydrodynamics code MULTI1D. The results corroborate the feasibility to obtain the electron density above the critical surface by the diagnostic method based on the Stark-broadened wings in the intermediately coupled plasmas.展开更多
The influence of electron thermal conductivity on the laser x-ray conversion in the coupling of 3w. laser with Au plane target has been investigated by using a non-LTE radiation hydrodynamic code. The non-local electr...The influence of electron thermal conductivity on the laser x-ray conversion in the coupling of 3w. laser with Au plane target has been investigated by using a non-LTE radiation hydrodynamic code. The non-local electron thermal conductivity is introduced and compared with the other two kinds of the flux-limited Spitzer-Harm description. The results show that the non-local thermal conductivity causes the increase of the laser x-ray conversion efficiency and important changes of the plasma state and coupling feature.展开更多
A range of new compounds such as N1,N4-bis（diphenylmethlene）benzene-l,4-diamine zirconium （IV） chloride [{（Ar）2NC6HsN（Ar）z}ZrCl4] （Ar = C6H5） complex counting the chelating amine and chloride in position tra...A range of new compounds such as N1,N4-bis（diphenylmethlene）benzene-l,4-diamine zirconium （IV） chloride [{（Ar）2NC6HsN（Ar）z}ZrCl4] （Ar = C6H5） complex counting the chelating amine and chloride in position trans have been prepared. Well-defined NI,N4-bis（diphenylmethlene）benzene-l,4-diamine zirconium （IV） chloride [{（Ar）2NC6H5N（Ar）2}ZrCl4] （Ar = C6H5） was obtained by stoichiometric addition of {（Ar）2NC6H5N（Ar）2} （Ar = C6H5） and {ZrC14} in ethanol at reflex temperature. IR, 1H NMR, electronic properties using hyperchem program study has been improved for this compound such as bond distance, and this compound was also defined as electric conductivity which proves to be useful for conductively compound.展开更多
The differential cross section for an electron Raman scattering process in a semiconductor GaAs/AlGaAs double quantum well wire is calculated,and expressions for the electronic states are presented.The system is model...The differential cross section for an electron Raman scattering process in a semiconductor GaAs/AlGaAs double quantum well wire is calculated,and expressions for the electronic states are presented.The system is modeled by considering T = 0 K and also with a single parabolic conduction band,which is split into a subband system due to the confinement.The gain and differential cross-section for an electron Raman scattering process are obtained.In addition,the emission spectra for several scattering configurations are discussed,and interpretations of the singularities found in the spectra are given.The electron Raman scattering studied here can be used to provide direct information about the efficiency of the lasers.展开更多
We discuss an electron transport in an ideal plasma which consists of electrons and deuterons. With respect to a frictional force to suppress an unlimited increase of a drift velocity, the Boltzmann equation with the ...We discuss an electron transport in an ideal plasma which consists of electrons and deuterons. With respect to a frictional force to suppress an unlimited increase of a drift velocity, the Boltzmann equation with the Fokker-Planck collision term takes into consideration only a dynamical frictional force coming from the many-body collisions through the Coulomb force. However, we here bring forward a problem that there may be another frictional force besides the dynamical frictional force. Another frictional force was found in the weakly ionized plasma and appears only in the case where free paths (nearly straight lines in no external force field) can be defined. Then, we have inquired into the existence of physical quantities like free paths (or free times) in the field of the scattering through the Coulomb force and the existence of an effective radius of the Coulomb force of a deuteron.展开更多
The electronic packaging shell with high silicon carbide aluminum-base composites was prepared by semi-solid thixoforming technique. The flow characteristic of the Si C particulate was analyzed. The microstructures of...The electronic packaging shell with high silicon carbide aluminum-base composites was prepared by semi-solid thixoforming technique. The flow characteristic of the Si C particulate was analyzed. The microstructures of different parts of the shell were observed by scanning electron microscopy and optical microscopy, and the thermophysical and mechanical properties of the shell were tested. The results show that there exists the segregation phenomenon between the Si C particulate and the liquid phase during thixoforming, the liquid phase flows from the shell, and the Si C particles accumulate at the bottom of the shell. The volume fraction of Si C decreases gradually from the bottom to the walls. Accordingly, the thermal conductivities of bottom center and walls are 178 and 164 W·m-1·K-1, the coefficients of thermal expansion(CTE) are 8.2×10-6 and 12.6×10-6 K-1, respectively. The flexural strength decreases slightly from 437 to 347 MPa. The microstructures and properties of the shell show gradient distribution.展开更多
We investigated the electronic heat capacity, thermal conductivity, and resistivity of UN using Quantum Espresso and EPW code. GGA, PBEsol functional was used. The calculated electronic heat coefficient was found to b...We investigated the electronic heat capacity, thermal conductivity, and resistivity of UN using Quantum Espresso and EPW code. GGA, PBEsol functional was used. The calculated electronic heat coefficient was found to be significantly reduced (0.0176 J<span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>mol<sup><span style="white-space:nowrap;">-</span>1</sup><span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>K<sup><span style="white-space:nowrap;">-</span>2</sup> versus 0.0006 J<span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>mol<sup><span style="white-space:nowrap;">-</span>1</sup><span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>K<sup><span style="white-space:nowrap;">-</span>2</sup>) when the non-local hybrid functional (B3LYP) was used. Furthermore, we calculated electrical resistivity using a very transparent Ziman’s formula for metals with the Eliashberg transport coupling function as implemented in EPW code for non-spin-polarized calculations. The number of mobile electrons in UN, as a function of temperature, was derived from the ratio of the calculated resistivity and available experimental data. The electronic thermal conductivity was evaluated from the calculated electronic resistivity via Wiedemann-Franz law with the number of mobility electrons (<em>n<sub>av</sub></em>) incorporated (averaged over the temperature range 300 K - 1000 K). Both the electronic thermal conductivity and resistivity, as calculated using newly evaluated <em>n<sub>av</sub></em>, compare well with experimental data at ~700 K, but to reproduce the observed trend as a function of temperature, the number of mobile electrons must decrease with the temperature as evaluated.展开更多
基金financially supported by the National Natural Science Foundation of China (No. 62464010)the Spring City Plan-Special Program for Young Talents (K202005007)+3 种基金the Yunnan Talents Support Plan for Young Talents (XDYC-QNRC-2022-0482)Yunnan Local Colleges Applied Basic Research Projects (202101BA070001-138)Key Laboratory of Artificial Microstructures in Yunnan Higher EducationFrontier Research Team of Kunming University 2023
文摘Zinc-ion batteries(ZIBs)have significant potential for advancements in energy storage systems owing to their high level of safety and theoretical capacity.However,ZIBs face several challenges,such as cathode capacity degradation and short cycle life.Ordinary metal–organic frameworks(MOFs)are characterized by high specific surface areas,large pore channels,and controllable structures and functions,making them suitable for use in ZIB cathodes with good performance.However,the insulating properties of MOFs hinder their further development.In contrast,electronic conductive MOFs(EC-MOFs)show high electronic conductivity,which facilitates rapid electron transport and ameliorates the charging and discharging efficiency of ZIBs.This paper introduces the unique conduction mechanism of EC-MOFs and elaborates various strategies for constructing EC-MOFs with high conductivity and stability.Additionally,the synthesis methods of EC-MOF-based cathode materials and their properties in ZIBs are elucidated.Finally,this paper presents a summary and outlook on the advancements of EC-MOFs for ZIB cathodes.This review provides guidance for designing and applying EC-MOFs in ZIBs and other energy storage devices.
基金supported by the Collaborative Innovation Program of Hefei Science Center of CAS(No.2022HSC-CIP007)。
文摘The thermal conductivity of plasma-facing materials(PFM)exposed to intense radiation is a critical concern for the reliable usage of materials in fusion reactors.However,limited research has been performed regarding the thermal conductivity of structures that rapidly change in a short time during collision cascade processes under irradiation.In this study,we employed the tight-binding(TB)method to investigate the electronic thermal conductivity(κ_(e))of tungsten-based systems during various cascading processes.We found thatκ_(e) values sharply decrease within the initial 0.3 picoseconds and then partially recover at a slow pace;this is closely linked to the evolution of defects and microstructural distortions.The increase in the initial kinetic energy of the primary knock-on atom and the presence of a high concentration of hydrogen atoms further decrease theκ_(e) values.Conversely,higher temperatures have a significant positive effect onκ_(e).Furthermore,the presence of a grain boundary∑5[001](130)substantially reducesκ_(e),whereas the absorption effect of point defects by the grain boundary has little influence onκ_(e) during cascades.Our findings provide a theoretical basis for evaluating changes in the thermal conductivity performance of PFMs during their usage in nuclear fusion reactors.
基金supported by the Key Projects of Department of Education of Hunan Province,China(Grant No.21A0167)the Natural Science Foundation of Hunan Province,China(Grant No.2019JJ40532)the Talent Introducing Foundation of Central South University of Forestry and Technology(Grant No.104-0160)。
文摘In two-dimensional bilayer systems,twist-angle-dependent electronic and thermoelectric properties have garnered significant scientific interest in recent years.In this work,based on a combination of density functional theory and nonequilibrium Green’s function method,we explore the electronic and thermoelectric properties in blue-phosphorene nanoribbon-based heterojunction(BPNRHJ)with and without blue-phosphorene nanoribbon(BPNR)stack.Our calculations find that the electronic conductance and power factor can be strongly enhanced by the BPNR stack,and their enhancements can be further observed with the twist between the layers.The main reason for this is the electronic hybridization between the layers can provide new transport channels,and the twist can modulate the strength of interlayer electronic hybridization,resulting in extremely violent fluctuations in electron transmission and hence an enhanced power factor.While the phonon thermal conductance exhibits very low dependence on the layer stack and twist.Combining these factors,our results reveal that the thermoelectric performance can be greatly modulated and enhanced in twist bilayer BPNRHJ:the figure of merit will be over 2.5 in 4-4-ZBPNR@ZGNR-AA-8.8∘at 500 K.
基金supported by the National Natural Science Foundation of China(21975091,22122902,and 52272208)the Fundamental Research Fund for the Central Universities of China(2662023LXPY001 and 2662021JC004).
文摘Lithium plating/stripping occurs at the a node/electrolyte interface which involves the flow of electrons from the current collector and the migration of lithium ions from the solid-electrolyte interphase(SEI).The dual continuous rapid transport of interfacial electron/ion is required for homogeneous Li deposition.Herein,we propose a strategy to improve the Li metal anode performance by rationally regulating the interfacial electron density and Li ion transport through the SEI film.This key technique involves decreasing the interfacial oxygen density of biomass-derived carbon host by regulating the arrangement of the celluloses precursor fibrils.The higher specific surface area and lower interfacial oxygen density decrease the local current density and ensure the formation of thin and even SEI film,which stabilized Li^(+)transfer through the Li/electrolyte interface.Moreover,the improved graphitization and the interconnected conducting network enhance the surface electronegativity of carbon and enable uninterruptible electron conduction.The result is continuous and rapid coupled interfacial electron/ion transport at the anode/electrolyte reaction interface,which facilitates uniform Li deposition and improves Li anode performance.The Li/C anode shows a high initial Coulombic efficiency of 98%and a long-term lifespan of over 150cycles at a practical low N/P(negative-to-positive)ratio of 1.44 in full cells.
基金supported by the National Key Research and Development Program of China(2021YFB4000602)the National Natural Science Foundation of China(21988101,22279130,21633011)+1 种基金the Dalian Science and Technology Innovation Fund(2023RJ016)the Liaoning Revitalization Talents Program(x LYC2002076)。
文摘Hydride ion(H-)conductors have drawn much attention due to their potential applications in hydrideion-based devices.Rare earth metal hydrides(REH_(x))have fast H-conduction which,unfortunately,is accompanied by detrimental electron conduction preventing their application as ion conductors.Here,REH_(x)(RE=Nd,Ce,and Pr)with varied grain sizes,rich grain boundaries,and defects have been prepared by ball milling and subsequent sintering.The electronic conductivity of the ball-milled REH_(x)samples can be reduced by 2-4 orders of magnitude compared with the non-ball-milled samples.The relationship of electron conduction and miscrostructures in REH_(x)is studied and discussed based on experimental data and previously-proposed classical and quantum theories.The H-conductivity of all REH_(x)is about 10^(-4)to 10^(-3)S cm^(-1)at room temperature,showing promise for the development of H-conductors and their applications in clean energy storage and conversion.
基金financially supported by the National Natural Science Foundation of China (Nos.52102234 and 51972094)the High-level Talents Research Initiation Project of Hebei University (No.521000981421)Hebei Province Introduced Overseas Student Funding Project (No.C20210313)。
文摘SnTe has received considerable attention as an environmentally friendly alternative to the representative thermoelectric material of PbTe.However,excessive hole carrier concentration in SnTe results in an extremely low Seebeck coefficient and high thermal conductivity,which makes it exhibit relatively inferior thermoelectric properties.In this work,the thermoelectric performance of p-type SnTe is enhanced through regulating its energy band structures and reducing its electronic thermal conductivity by combining Bi doping with CdSe alloying.First,the carrier concentration of SnTe is successfully suppressed via Bi doping,which significantly decreases the electronic thermal conductivity.Then,the convergence and flattening of the valence bands by alloying CdSe effectively improves the effective mass of SnTe while restraining its carrier mobility.Finally,a maximum figure of merit(ZT) of~ 0.87 at 823 K and an average ZT of~ 0.51 at 300-823 K have been achieved in Sn_(0.96)Bi_(0.04)Te-5%CdSe.Our results indicate that decreasing the electronic thermal conductivity is an effective means of improving the performance of thermoelectric materials with a high carrier concentration.
基金This study was financially supported by the National Natural Science Foundation of China(Nos.52177208,52171202,51971055 and 51871046)the National Safety Academic Fund(Nos.U1930208,U2030206 and U1730136).
文摘The high energy density and stability of solid-state lithium metal batteries(SSLMBs)have garnered great attention.Garnet-type oxides,especially Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)(LLZTO),with high ionic conductivity,wide electrochemical window,and stability to Li metal anode,are promising solid-state electrolyte(SSEs)materials for SSLMBs.However,Li/LLZTO interface issues including high interface resistance,inhomogeneous Li deposition,and Li dendrite growth have hindered the practical application of SSLMBs.Herein,a multi-functional Li–SnF_(2) composite anode with Li,LiF,and Li-Sn alloy was specifically designed and prepared.The composite anode improves the wettability to LLZTO,constructing an intimate contact interface between it and LLZTO.Meanwhile,ionic/electronic conductive paths in situ formed at the interface can effectively uniform Li deposition and suppress Li dendrite.The solid-state symmetric cell exhibits low interface resistance(11Ω·cm^(2)) and high critical current density(1.3 mA·cm^(−2))at 25℃.The full SSLMB based on LiFePO_(4) or LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2) cathode also shows stable cycling performance and high rate capability.This work provides a new composite anode strategy for achieving high-energy density and high-safety SSLMBs.
文摘Carbon was used as electronic conductive agent, and metasilicic acid lithium (Li<sub>2</sub>SiO<sub>3</sub>) as ionic conductive agent, the two factors were investigated cooperatively. We evaluated their effect by using spherical spinel LiMn<sub>2</sub>O<sub>4</sub> which prepared ourselves as cathode material. Then Li<sub>2</sub>SiO<sub><sub></sub>3</sub>/carbon surface coating on LiMn<sub><sub></sub>2</sub>O<sub>4</sub> (LMO/C/LSO) which Li<sub><sub></sub>2</sub>SiO<sub><sub></sub>3</sub> inside and carbon/Li<sub><sub></sub>2</sub>SiO<sub><sub></sub>3</sub> coated LiMn<sub><sub></sub>2</sub>O<sub><sub></sub>4</sub> (LMO/LSO/C) were prepared, All of materials were characterized by X-ray diffraction (XRD) and electrochemical test;spherical LiMn<sub></sub>2O<sub></sub>4 was characterized by scanning electron microscopy (SEM);and coated materials were characterized by transmission electron microscopy (TEM). While uncoated spinel LiMn<sub><sub></sub>2</sub>O<sub><sub></sub>4</sub> maintained 72% of capacity in 60 cycles by the rate of 0.2C, and LMO/LSO/C showed the best electrochemical performance, 89% of the initial capacity remained after 75 cycles at 0.2C. Furthermore, the rate performance of LMO/LSO/C also improved obviously, about 30 mAh·g<sup>-1</sup> of capacity attained at the rate of 5C, higher than LMO/C/LSO and bare LiMn<sub><sub></sub>2</sub>O<sub><sub></sub>4</sub>.
基金financially supported by the Guangdong Basic and Applied Basic Research Foundation(Nos.2022B1515020001,2024A1515010277)the National Natural Science Foundation of China(Nos.22109052,52202221)+1 种基金Guangzhou Science and Technology Program(No.2024A04J3899)the Fundamental Research Funds for the Central Universities(No.21624410)。
文摘Benefiting from the low cost and high abundance of potassium resources,K-based batteries have attracted numerous research interest as a more sustainable battery chemist,particularly when considering the enormous demand for sustainable energy storage while limiting Li sources for Li-based batteries.However,the much larger size of the K-ion usually leads to the serious electrodes'volumetric expansion with rapid capacity fading,making the pursuit of electrodes for potassium storage with high capacity and high stability a significant challenge.The polymer electrode materials have been considered promising materials to address these issues due to their porous characteristics,insolubility in electrolytes,and flexible structural design at a molecular level.In this review,we outline the recent advancements in redox-active polymer electrodes,including anode and cathode,materials for K-based batteries,including crystalline porous coordination polymers,crystalline covalent organic polymers,amorphous polymers,and polymer composites.We discuss the electrode designs,electrochemical performances,and K-ion storage mechanism,with a focus on their structure-function correlations.With this knowledge,we propose the perspectives and challenges in designing advanced polymer electrode materials for K-based batteries.We expect this review will shed light on the further development of reliable polymer electrode materials.
基金the National Natural Science Foundation of China(51973157)the Special Grade of the Financial Support from the China Postdoctoral Science Foundation(2020T130469)+1 种基金the China Postdoctoral Science Foundation Grant(2019 M651047)the Science and Technology Plans of Tianjin(19PTSYJC00010)for their financial support。
文摘Lithium-sulfur(Li-S) batteries and lithium-selenium(Li-Se) batteries,as environmental protection energy storage systems with outstanding theoretical specific capacities and high energy densities,have become the hotspots of current researches.Besides,elemental S(Se) raw materials are widely sourced and their production costs are both low,which make them considered one of the new generations of high energy density electrochemical energy storage systems with the most potential for development.However,poor conductivity of elemental S/Se and the notorious "shuttle effect" of lithium polysulfides(polyselenides) severely hinder the commercialization of Li-S/Se batteries.Thanks to the excellent electrical conductivity and strong absorption of lithium polysulfide(polyselenide) about electronically conducting polymer,some of the above thorny problems have been effectively alleviated.The review presents the fundamental studies and current development trends of common electronically conducting polymers in various components of Li-S/Se batteries,which involves polyaniline(PANI) polypyrrole(PPy),and polythiophene(PTh) with its derivatives,e.g.polyethoxythiophene(PEDOT) and poly(3,4-ethylene dioxythiophene)-poly(styrenesulfonate)(PEDOT:PSS).Finally,the review not only summarizes the research directions and challenges facing the application of electronically conducting polymers,but also looks forward to the development prospects of them,which will provide a way for the practical use of electronically conducting polymers in Li-S/Se batteries with outstanding electrochemical properties in the short run.
文摘The ZrO2 (9mol% Y2O3) coating was prepared evenly on the surface of MgO partially stabilized zirconia (Mg-PSZ) tube (oxygen sensor probe) by dipping the green Mg-PSZ tube in a ZrO2 (9mol% Y2O3) slurry and then co-firing at 1750°C for 8 h. The double-cell method was employed to measure the electronic conductivity parameter and exam the reproducibility of the coated Mg- PSZ tube. The experimental results indicate that the good thermal shock resistance of the Mg-PSZ tube can be retained when the coating thickness is not more than 3.4 μm. The ZrO2 (9mol% Y2O3) coating reduces the electronic conductivity parameter remarka- bly, probably due to the lower electronic conductivity of Y2O,-stabilized ZrO2 than that of MgO-stabilized ZrO2. Moreover, the ZrO2 (9mol% Y2O3) coating can improve the reproducibility and accuracy of the Mg-PSZ tube significantly in the low oxygen measure- ment. The smooth surface feature and lower electronic conductivity of the coated Mg-PSZ tube should be responsible for this im- provement.
基金Project Sponsored by National Natural Science Foundation(59874004)
文摘A study on electronic conductivity of CaO-SiO2-Al2O3-FeOxslag system with Wagner polarization technique was carried out.The experimental data show that electronic conductivity is consisted of free electron conductivity and electron hole conductivity and both are related to the content of Fe3+and Fe2+.Free electron conductivity is decreasing and electron hole conductivity is increasing while Fe3+changes to Fe2+.There is a maximum electronic conductivity at some ratio of ferric ions Fe3+to total ion content.Under the experimental conditions,the electronic conductivity is in the range of 10-4—10-2S/cm.
基金supported by the Fundamental Research Funds for Central Universities of China and the Key Research and Development Projects of Sichuan(No.2020YFG0127)。
文摘Low-cost silicon microparticles(SiMP),as a substitute for nanostructured silicon,easily suffer from cracks and fractured during the electrochemical cycle.A novel n-type conductive polymer binder with excellent electronic and ionic conductivities as well as good adhesion,has been successfully designed and applied for high-performance SiMP anodes in lithium-ion batteries to address this problem.Its unique features are attributed to the stro ng electron-withdrawing oxadiazole ring structure with sulfonate polar groups.The combination of rigid and flexible components in the polymer ensures its good mechanical strength and ductility,which is beneficial to suppress the expansion and contraction of SiMP s during the charge/discharge process.By fine-tuning the monomer ratio,the conjugation and sulfonation degrees of the polymer can be precisely controlled to regulate its ionic and electronic conductivities,which has been systematically analyzed with the help of an electrochemical test method,filling in the gap on the conductivity measurement of the polymer in the doping state.The experimental results indicate that the cell with the developed n-type polymer binder and SiMP(~0.5 μm) anodes achieves much better cycling performance than traditional non-conductive binders.It has been considered that the initial capacity of the SiMP anode is controlled by the synergetic effect of ionic and electronic conductivity of the binder,and the capacity retention mainly depends on its electronic conductivity when the ionic conductivity is sufficient.It is worth noting that the fundamental research of this wo rk is also applicable to other battery systems using conductive polymers in order to achieve high energy density,broadening their practical applications.
基金Key Laboratory Open Foundation of the China Academy of Engineering Physics (No. 9032), and theNational Natural Science Foundation of China (No. 10275056)
文摘By using the space-resolved spectrograph, the K-shell emission from laser-produced plasma was investigated. Electron density profiles along the normal direction of the target surface in aluminum laser-plasmas were obtained by two different diagnostic methods and compared with the profiles from the theoretical simulation of hydrodynamics code MULTI1D. The results corroborate the feasibility to obtain the electron density above the critical surface by the diagnostic method based on the Stark-broadened wings in the intermediately coupled plasmas.
基金the National High-Tech ICF Committee in Chinathe National Natute Science Foundation of China !(No.19735002)the Fund of C
文摘The influence of electron thermal conductivity on the laser x-ray conversion in the coupling of 3w. laser with Au plane target has been investigated by using a non-LTE radiation hydrodynamic code. The non-local electron thermal conductivity is introduced and compared with the other two kinds of the flux-limited Spitzer-Harm description. The results show that the non-local thermal conductivity causes the increase of the laser x-ray conversion efficiency and important changes of the plasma state and coupling feature.
文摘A range of new compounds such as N1,N4-bis（diphenylmethlene）benzene-l,4-diamine zirconium （IV） chloride [{（Ar）2NC6HsN（Ar）z}ZrCl4] （Ar = C6H5） complex counting the chelating amine and chloride in position trans have been prepared. Well-defined NI,N4-bis（diphenylmethlene）benzene-l,4-diamine zirconium （IV） chloride [{（Ar）2NC6H5N（Ar）2}ZrCl4] （Ar = C6H5） was obtained by stoichiometric addition of {（Ar）2NC6H5N（Ar）2} （Ar = C6H5） and {ZrC14} in ethanol at reflex temperature. IR, 1H NMR, electronic properties using hyperchem program study has been improved for this compound such as bond distance, and this compound was also defined as electric conductivity which proves to be useful for conductively compound.
文摘The differential cross section for an electron Raman scattering process in a semiconductor GaAs/AlGaAs double quantum well wire is calculated,and expressions for the electronic states are presented.The system is modeled by considering T = 0 K and also with a single parabolic conduction band,which is split into a subband system due to the confinement.The gain and differential cross-section for an electron Raman scattering process are obtained.In addition,the emission spectra for several scattering configurations are discussed,and interpretations of the singularities found in the spectra are given.The electron Raman scattering studied here can be used to provide direct information about the efficiency of the lasers.
文摘We discuss an electron transport in an ideal plasma which consists of electrons and deuterons. With respect to a frictional force to suppress an unlimited increase of a drift velocity, the Boltzmann equation with the Fokker-Planck collision term takes into consideration only a dynamical frictional force coming from the many-body collisions through the Coulomb force. However, we here bring forward a problem that there may be another frictional force besides the dynamical frictional force. Another frictional force was found in the weakly ionized plasma and appears only in the case where free paths (nearly straight lines in no external force field) can be defined. Then, we have inquired into the existence of physical quantities like free paths (or free times) in the field of the scattering through the Coulomb force and the existence of an effective radius of the Coulomb force of a deuteron.
文摘The electronic packaging shell with high silicon carbide aluminum-base composites was prepared by semi-solid thixoforming technique. The flow characteristic of the Si C particulate was analyzed. The microstructures of different parts of the shell were observed by scanning electron microscopy and optical microscopy, and the thermophysical and mechanical properties of the shell were tested. The results show that there exists the segregation phenomenon between the Si C particulate and the liquid phase during thixoforming, the liquid phase flows from the shell, and the Si C particles accumulate at the bottom of the shell. The volume fraction of Si C decreases gradually from the bottom to the walls. Accordingly, the thermal conductivities of bottom center and walls are 178 and 164 W·m-1·K-1, the coefficients of thermal expansion(CTE) are 8.2×10-6 and 12.6×10-6 K-1, respectively. The flexural strength decreases slightly from 437 to 347 MPa. The microstructures and properties of the shell show gradient distribution.
文摘We investigated the electronic heat capacity, thermal conductivity, and resistivity of UN using Quantum Espresso and EPW code. GGA, PBEsol functional was used. The calculated electronic heat coefficient was found to be significantly reduced (0.0176 J<span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>mol<sup><span style="white-space:nowrap;">-</span>1</sup><span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>K<sup><span style="white-space:nowrap;">-</span>2</sup> versus 0.0006 J<span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>mol<sup><span style="white-space:nowrap;">-</span>1</sup><span style="white-space:nowrap;"><span style="white-space:nowrap;">⋅</span></span>K<sup><span style="white-space:nowrap;">-</span>2</sup>) when the non-local hybrid functional (B3LYP) was used. Furthermore, we calculated electrical resistivity using a very transparent Ziman’s formula for metals with the Eliashberg transport coupling function as implemented in EPW code for non-spin-polarized calculations. The number of mobile electrons in UN, as a function of temperature, was derived from the ratio of the calculated resistivity and available experimental data. The electronic thermal conductivity was evaluated from the calculated electronic resistivity via Wiedemann-Franz law with the number of mobility electrons (<em>n<sub>av</sub></em>) incorporated (averaged over the temperature range 300 K - 1000 K). Both the electronic thermal conductivity and resistivity, as calculated using newly evaluated <em>n<sub>av</sub></em>, compare well with experimental data at ~700 K, but to reproduce the observed trend as a function of temperature, the number of mobile electrons must decrease with the temperature as evaluated.
