Nuclear mass is an important property in both nuclear and astrophysics.In this study,we explore an improved mass model that incorporates a higher-order term of symmetry energy using algorithms.The sequential least squ...Nuclear mass is an important property in both nuclear and astrophysics.In this study,we explore an improved mass model that incorporates a higher-order term of symmetry energy using algorithms.The sequential least squares programming(SLSQP)algorithm augments the precision of this multinomial mass model by reducing the error from 1.863 MeV to 1.631 MeV.These algorithms were further examined using 200 sample mass formulae derived from theδE term of the E_(isospin) mass model.The SLSQP method exhibited superior performance compared to the other algorithms in terms of errors and convergence speed.This algorithm is advantageous for handling large-scale multiparameter optimization tasks in nuclear physics.展开更多
The optical chirality of vortex structured light has attracted more and more attention in recent years due to its fascinating properties and wide potential applications.Such an issue is typically studied in a spatial ...The optical chirality of vortex structured light has attracted more and more attention in recent years due to its fascinating properties and wide potential applications.Such an issue is typically studied in a spatial medium.This work is devoted to the study of the optical chirality of vortex structured light in the temporal medium with timevarying permittivity.A full vector theoretical model is developed to describe the optical chirality of LaguerreGaussian(LG)vortex light beams that undergo the temporal reflection and transmission.展开更多
Activating both metal and lattice oxygen sites for efficient oxygen evolution reactions(OER)is a critical challenge.This study pioneers a novel approach,employing cobalt-nickel glycerate solid spheres(CoNi-G SSs)as se...Activating both metal and lattice oxygen sites for efficient oxygen evolution reactions(OER)is a critical challenge.This study pioneers a novel approach,employing cobalt-nickel glycerate solid spheres(CoNi-G SSs)as self-sacrificial templates to synthesize yolk-shell structured CoNi-G SSs@ZIF-67 nanospheres.The derived NiCo2S4@CoS2/MoS2 double-shelled hollow nanospheres integrate the adsorbate evolution mechanism(AEM)and lattice oxygen mechanism(LOM),enabling synergistic dual catalytic pathways.Nickel modulation facilitates active species reconstruction in NiCo_(2)S_(4),enhancing lattice oxygen activity and optimizing the LOM pathway.Characterization results indicate that anode activation triggered the redox processes of metal and lattice oxygen sites,involving the formation and re-filling of oxygen vacancies.Additionally,the CoS_(2)/MoS_(2) heterostructure enhances the AEM pathway,as supported by density functional theory calculations,which demonstrate optimized adsorption of intermediates for both hydrogen evolution reaction and OER.The assembled anion exchange membrane water splitting device can deliver a catalytic current of 500 mA cm^(-2) at 1.74 V under commercial catalytic operating conditions(1 mol L^(-1) KOH)for 150 h,with negligible degradation.This work provides important insights into the understanding of OER mechanisms and the design of high-performance water-splitting electrocatalysts,while also opening new avenues for developing multifunctional materials with multi-shell structures.展开更多
Li-rich Mn-based oxides(LRMO)are of great significance in achieving high energy density all-solid-state lithium batteries(ASSLBs),owing to their high theoretical capacity and high operation voltage.Unfortunately,their...Li-rich Mn-based oxides(LRMO)are of great significance in achieving high energy density all-solid-state lithium batteries(ASSLBs),owing to their high theoretical capacity and high operation voltage.Unfortunately,their practical application is hindered by severe interface degradation due to the chemical oxidation and electrochemical decomposition of solid electrolytes(SEs),driven by high-active oxygen and electron sources from LRMO.Herein,an interfacial modification strategy is proposed to stabilize the surface lattice oxygen of LRMO and reduce electronic conduction between LRMO and SEs,synergistically.Accordingly,the byproducts from chemical oxidation(InO^(-))and electrochemical decomposition(LiCl^(-))are largely suppressed,leading to superior interfacial transport with the lowest resistance.Consequently,the ASSLB achieves a high reversible capacity of 227.9 mA h g^(-1)at 0.1 C,a cycling stability of 90.1%capacity retention after 200 cycles at 0.1 C,and a superior rate capability with a capacity of81.7 m A h g^(-1)at 3.0 C.This study enriches the fundamental understanding of LRMO/SEs interfacial evolution during the electrochemical cycling and the proposed interfacial modification strategy benefits the future design of Li-rich compounds for ASSLBs.展开更多
High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory devices.Here we systematically investigated the electronic properti...High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory devices.Here we systematically investigated the electronic properties of single-walled boron antimonide(BSb)nanotubes using first-principles calculations.We observed that rolling the hexagonal boron antimonide monolayer into armchair(ANT)and zigzag(ZNT)nanotubes induces compression and wrinkling effects,significantly modifying the band structures and carrier mobilities through band folding andπ^(*)-σ^(*)hybridization.As the chiral index increases,the band gap and carrier mobility of ANTs decrease monotonically,where electron mobility consistently exceeds hole mobility.In contrast,ZNTs exhibit a more complex trend:the band gap first increases and then decreases,and the carrier mobility displays oscillatory behavior.In particular,both ANTs and ZNTs could exhibit significantly higher carrier mobilities compared to hexagonal monolayer and zinc-blende BSb,reaching 10^(-3)-10^(-7) cm^(-2)·V^(-1)·s^(-1).Our findings highlight strong curvature-induced modifications in the electronic properties of single-walled BSb nanotubes,demonstrating the latter as a promising candidate for high-performance electronic devices.展开更多
The prediction of new fluorooxoborates as ultraviolet(UV)/deep ultraviolet(DUV)opto-electronic functional materials from a largely unexplored chemical space is a challenging task.It has been suggested that the anionic...The prediction of new fluorooxoborates as ultraviolet(UV)/deep ultraviolet(DUV)opto-electronic functional materials from a largely unexplored chemical space is a challenging task.It has been suggested that the anionic frameworks formed by B–O and B–O–F units significantly determine the physical properties of fluorooxoborates.Therefore,the rational design of anionic frameworks could facilitate the materials discovery process.Herein,we propose that a candidate anionic framework can be efficiently derived from an existing one by slightly altering its oxygen content.Following this idea,we hypothesized the existence of a 1D[B_(3)O_(5)F]_(∞)chain from the wellknown 2D[B_(6)O_(9)F_(2_)]_(∞)layer.Accordingly,seven CaB_(3)O_(5)F structures with the expected anionic framework were successfully predicted.First-principles calculations show that all these structures have potential in the UV/DUV birefringent or nonlinear optical(NLO)material field,indicating that the 1D[B_(3)O_(5)F]_(∞)chain is indeed a promising anionic framework for achieving UV/DUV birefringent and NLO performance.展开更多
Ceramic cells promise ideal energy conversion and storage devices,making the development of efficient and robust air electrodes crucial for their application.In this study,a Ba_(0.4)Sr_(0.5)Cs_(0.1)Co_(0.7)Fe_(0.2)Nb_...Ceramic cells promise ideal energy conversion and storage devices,making the development of efficient and robust air electrodes crucial for their application.In this study,a Ba_(0.4)Sr_(0.5)Cs_(0.1)Co_(0.7)Fe_(0.2)Nb_(0.1)O_(3−δ)(BSCCFN)air electrode,based on Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3−δ)(BSCF),is designed using a perovskite A-B-site ionic Lewis acid strength(ISA)polarization distribution strategy and is successfully applied in both oxygen-ion conducting solid oxide fuel cells(O-SOFCs)and proton-conducting reversible protonic ceramic cells(R-PCCs).When BSCCFN is used as the air electrode in O-SOFCs,a peak power density(PPD)of 1.45 W cm^(−2)is achieved at 650°C,whereas in R-PCCs,a PPD of 1.13 W cm^(−2)and a current density of−1.8 A cm^(−2)at 1.3 V are achieved at the same temperature and show stable reversibility over 100 h.Experimental measurements and theoretical calculations demonstrate that low-ISA Cs+doping accelerates the reaction kinetics of both oxygen ions and protons,while high-ISA Nb^(5+)doping enhances electrode stability.The synergistic effect of Cs^(+)and Nb^(5+)co-doping in the BSCCFN electrode lies in the ISA polarization distribution,which weakens the Co/Fe–O bond covalency,thereby promoting oxygen vacancy formation and facilitating the conduction of oxygen ions and protons.展开更多
Renewable biomass-derived activated carbons have attracted attentions for supercapacitor applications. Rice husk is a kind of abundant biomass, which has been studied for the preparation of hierarchical activated carb...Renewable biomass-derived activated carbons have attracted attentions for supercapacitor applications. Rice husk is a kind of abundant biomass, which has been studied for the preparation of hierarchical activated carbons. Rice husk is rich in silica. Silica in rice husk affects the formation of pore structure in the KOH activation process, which further affects the electrochemical performance of the resultant activated carbon for supercapacitors. In this paper, the effects of silica in rice husk on the activation process were investigated. When the silica in rice husk is not removed, KOH preferentially reacts with silica to produce silicate, which hinders the formation and enlargement of mesopores;the obtained activated carbon exhibits high microporous ratio, high specific area (up to 3263 m^2/g), high specific capacitance (315 F/g at 0.5 A/g), but poor rate capability (51.7%capacitance retention with increasing the current density from 0.5 A/g to 20 A/g). When the silica in rice husk is removed, the pores produced by the removal of silica are etched to mesopores in activation process;the obtained activated carbon exhibits high mesoporous ratio, relative high specific surface area of 2804 m2/g and relative high capacitance of 278 F/g at 0.5 A/g with excellent rate capability (76.6%capacitance retention with increasing the current density from 0.5 A/g to 20 A/g).展开更多
Perovskite oxide LaMnO3 was prepared by sol-gel method and the nanosize Au/LaMnO3 catalyst was prepared by deposition-precipitation（DP） method in the paper.Characterization of the catalyst sample was made by X-ray d...Perovskite oxide LaMnO3 was prepared by sol-gel method and the nanosize Au/LaMnO3 catalyst was prepared by deposition-precipitation（DP） method in the paper.Characterization of the catalyst sample was made by X-ray diffractometer（XRD）,atom absorption spectra（AAS） and X-ray photoelectron spectroscopy（XPS） instrumental methods.The activity,long-term stability and the reasons for deactivation of the gold catalyst in CO oxidation were investigated.The experiment results demonstrated that the Au/LaMnO3 catalyst exhibited high stability in the ambient storage process.However,the gradual decrease in initial activity during 100 h reaction was still observed,which could be ascribed to the aggregation of gold particles and the transfer from gold ion to the metal gold.展开更多
Two-dimensional(2D)metal carbides,MXene,present the promising application for the energy storage system.Among the MXene family,Ti_2CT_xas the lightest material,shows its unique electrochemical performance.Herein,Ti_2C...Two-dimensional(2D)metal carbides,MXene,present the promising application for the energy storage system.Among the MXene family,Ti_2CT_xas the lightest material,shows its unique electrochemical performance.Herein,Ti_2CT_xis synthesized by selective etching Al layer from the Ti_2Al C.With the optimized HF treating condition,Ti_2CT_xdisplays high volumetric capacitance and remarkable rate ability.Moreover,the Ti_2CT_x//Ti_2CT_xsymmetric supercapacitor is designed and assembled,which presents capable capacitance,outstanding rate performance and excellent cycling performance.The remarkable electrochemical performance is attributed to its 2D structure and high electronic conductivity.This work demonstrates the potential application of the Ti_2CT_xfor the supercapacitors and provides a template to design highperformance supercapacitors with 2D electrode materials.展开更多
Due to the increasingly depleted limited fossil fuel resources,the development of renewable energy is the key to promote sustainable development which is an important part of the energy strategy[1].NH3 is one of most ...Due to the increasingly depleted limited fossil fuel resources,the development of renewable energy is the key to promote sustainable development which is an important part of the energy strategy[1].NH3 is one of most important and largest chemical productions in the world,it can be used as a feedstock for nitrogen fertilizer productions[2,3]or as a carbon-free energy carrier[4,5].展开更多
Bi_4 Si_3 O_(12):RE(BSO:RE, RE = Eu^(3+), Sm^(3+), Ho^(3+), Tb^(3+)) crystals were grown by the modified vertical Bridgeman method, and doping effects on scintillation properties were investigated. Under γ-ray irradi...Bi_4 Si_3 O_(12):RE(BSO:RE, RE = Eu^(3+), Sm^(3+), Ho^(3+), Tb^(3+)) crystals were grown by the modified vertical Bridgeman method, and doping effects on scintillation properties were investigated. Under γ-ray irradiation, the light yield of BSO doped with small doses of Eu^(3+) increases slightly, and the energy resolution improves significantly compared to pure BSO, therefore the ability of distinguishing between particles will be improved for BSO crystals with a small amount of Eu^(3+) dopant. The results show that a small amount of Eu^(3+) doping can sensitize the Bi^(3+) ions. The sensitization effect enables the reduction of intrinsic defects, and thus improves the scintillation properties. However, the relative light yield of BSO:Tb(1.0 mol%) crystal is 4.3%, which is smaller than 5.0% of pure BSO. The improved light yield and energy resolution in the BSO:Eu and BSO:Sm crystals are considered an impressive achievement in the optimization of this scintillator which is already suitable for applications such as dual-readout calorimeters and homogeneous hadron calorimeters.展开更多
Two-dimensional(2D)perovskites solar cells(PSCs)have attracted considerable attention owing to their excellent stability against humidity;however,some imperfectness of 2D perovskites,such as poor crystallinity,disorde...Two-dimensional(2D)perovskites solar cells(PSCs)have attracted considerable attention owing to their excellent stability against humidity;however,some imperfectness of 2D perovskites,such as poor crystallinity,disordered orientation,and inferior charge transport still limit the power conversion efficiency(PCE)of 2D PSCs.In this work,2D Ti3C2Tx MXene nanosheets with high electrical conductivity and mobility were employed as a nanosized additive to prepare 2D Ruddlesden–Popper perovskite films.The PCE of solar cells was increased from 13.69(without additive)to 15.71%after incorporating the Ti_(3)C_(2)T_(x) nanosheets with an optimized concentration.This improved performance is attributed to the enhanced crystallinity,orientation,and passivated trap states in the 3D phase that result in accelerated charge transfer process in vertical direction.More importantly,the unencapsulated cells exhibited excellent stability under ambient conditions with 55±5%relative humidity.展开更多
Room temperature sodium–sulfur(RT Na-S)battery with high theoretical energy density and low cost has spurred tremendous interest,which is recognized as an ideal candidate for large-scale energy storage applications.H...Room temperature sodium–sulfur(RT Na-S)battery with high theoretical energy density and low cost has spurred tremendous interest,which is recognized as an ideal candidate for large-scale energy storage applications.However,serious sodium polysulfide shutting and sluggish reaction kinetics lead to rapid capacity decay and poor Coulombic efficiency.Recently,catalytic materials capable of adsorbing and catalyzing the conversion of polysulfides are profiled as a promising method to improve electrochemical performance.In this review,the research progress is summarized that the application of catalytic materials in RT Na-S battery.For the role of catalyst on the conversion of sulfur species,specific attention is focused on the influence factors of reaction rate during different redox processes.Various catalytic materials based on lightweight and high conductive carbon materials,including heteroatom-doped carbon,metals and metal compounds,single-atom and heterostructure,promote the reaction kinetic via lowered energy barrier and accelerated charge transfer.Additionally,the adsorption capacity of the catalytic materials is the key to the catalytic effect.Particular attention to the interaction between polysulfides and sulfur host materials is necessary for the exploration of catalytic mechanism.Lastly,the challenges and outlooks toward the desired design of efficient catalytic materials for RT Na-S battery are discussed.展开更多
The approach of substituting electrochemically active with inactive elements has widely been used to improve the electrochemical performance of Li-rich intercalation cathode materials. This especially is true for Li-r...The approach of substituting electrochemically active with inactive elements has widely been used to improve the electrochemical performance of Li-rich intercalation cathode materials. This especially is true for Li-rich compounds where almost all of the Li+ions are reversibly(de)intercalated during electrochemical cycling. The beneficial mechanism behind this substitution with electrochemically inactive elements is still not clear yet. Li_(2)RuO_(3) is chosen as basis for a model solid solution system to investigate the effect of electrochemically inactive elements owing to its high specific capacity of more than 300 m Ah g^(-1) and the significant contribution of anion redox mechanism. Herein, Li_(2)Ru_(1-x)Ti_xO_(3) solid solution series are synthesized and the effect of substituting with electrochemical inactive Ti for Ru on structure and electrochemical performance have been comprehensively investigated. The electrochemical performance is significantly improved, especially for Li_(2)Ru_(0.8)Ti_(0.2)O_(3), and the capacity retention after 50 cycles increases from 81% to 90%, as compared to the end member Li_(2)RuO_(3). Results of electrochemical impedance spectroscopy show that Ti substitution reduces the charge transfer impedance, which favors the Li+diffusion across the electrolyte–electrode interface and improves the electronic conductivity. For the first time,nuclear magnetic resonance was utilized to confirm that a small part of Ti ions exchange their position with Li ions in the Li layer. This research provides a better understanding of electrochemical inactive element substitution and strong insights for the functional design of the next generation of Li-rich cathode materials.展开更多
A magnetic state equation of the MnFeP0.45As0.55 compound has been obtained by minimizing the Gibbs free energy with respect to the volume and the magnetization based on the Bean-Rodbell model. The isothermal magnetiz...A magnetic state equation of the MnFeP0.45As0.55 compound has been obtained by minimizing the Gibbs free energy with respect to the volume and the magnetization based on the Bean-Rodbell model. The isothermal magnetization of the compound has been calculated using this equation. The magnetic entropy change of the compound was determined from the surface area between the two adjacent isothermal magnetization curves divided by the average temperature. A comparison and an error analysis of the calculated magnetic entropy change and the one determined from the experimental data were given.展开更多
The sulfide-based solid-state electrolytes(SEs)reactivity toward moisture and Li-metal are huge barriers that impede their large-scale manufactu ring and applications in all-solid-state lithium batteries(ASSLBs).Herei...The sulfide-based solid-state electrolytes(SEs)reactivity toward moisture and Li-metal are huge barriers that impede their large-scale manufactu ring and applications in all-solid-state lithium batteries(ASSLBs).Herein,we proposed an Al and O dual-doped strategy for Li_(3)PS_(4)SE to regulate the chemical/electrochemical stability of anionic PS_(4)^(3-)tetrahedra to mitigate structural hydrolysis and parasitic reactions at the SE/Li interface.The optimized Li_(3.08)A_(10.04)P_(0.96)S_(3.92)O_(0.08)SE presents the highestσLi+of 3.27 mS cm^(-1),which is~6.8 times higher than the pristine Li_(3)PS_(4)and excellently inhibits the structural hydrolysis for~25 min@25%humidity at RT.DFT calculations confirmed that the enhanced chemical stability was revealed to the intrinsically stable entities,e.g.,POS33-units.Moreover,Li_(3.08)Al_(0.04)P_(0.96)S_(3.92)O_(0.08)SE cycled stably in Li//Li symmetric cell over 1000 h@0.1 mA cm^(-2)/0.1 mA h cm^(-2),could be revealed to Li-Al alloy and Li_(2)Oat SE/Li interface impeding the growth of Li-dendrites during cycling.Resultantly,LNO@LCO/Li_(3.08)Al_(0.04)P_(0.96)S_(3.92)O_(0.08)/Li-In cell delivered initial discharge capacities of 129.8 mA h g^(-1)and 83.74%capacity retention over 300 cycles@0.2 C at RT.Moreover,the Li_(3.08)Al_(0.04)P_(0.96)S_(3.92)O_(0.08)SE presented>90%capacity retention over 200 and 300 cycles when the cell was tested with LiNi_(0.8)Co_(0.15)Al_(0.05)O_(2)(NCA)cathode material vs.5 and 10 mg cm^(-2)@RT.展开更多
In this paper, the magnetic properties, electronic structures and the stabilities of Zn/Cd incorporated two-dimensional Al N nanosheets are investigated by the first-principles method. Numerical results indicate that ...In this paper, the magnetic properties, electronic structures and the stabilities of Zn/Cd incorporated two-dimensional Al N nanosheets are investigated by the first-principles method. Numerical results indicate that Zn and Cd substituting Al atom in Al N nanosheets introduce some holes into the 2p orbitals of the N atoms, and the holes mainly come from spindown 2p orbitals of the N atoms. The magnetic moment of 1.0 μBis produced by Zn/Cd doping Al N nanosheets, and the main component of the magnetic moment of the system is contributed by the partially filled 2p states of the N atoms around the dopant. In particular, when Zn/Cd substituting Al atoms, the magnetic coupling is found to be ferromagnetic. We attribute the hole-mediated p–d interaction to the created ferromagnetic coupling. More importantly, the result of formation energy indicates that Al atom is more inclined to be replaced by Zn atom rather than Cd. This finding is beneficial to developing the spin electronic devices.展开更多
High-density Cu2ZnSnS4 （CZTS） materials are prepared via the mechanical alloying and high pressure sintering method using Cu2S, ZnS and SnS2 as the raw materials. The morphological, structural, compositional and ele...High-density Cu2ZnSnS4 （CZTS） materials are prepared via the mechanical alloying and high pressure sintering method using Cu2S, ZnS and SnS2 as the raw materials. The morphological, structural, compositional and electrical properties of the materials are investigated by using x-ray diffraction, scanning electron microscopy, and energy dispersive x-ray spectroscopy, as well as by the Raman scattering and the Hall EFfect measurements. The CZTS synthesized under 5 GPa and 800℃ shows a p-type conductivity, with a resistivity of 9.69 × 10^-2 Ω.cm and a carrier concentration of 1.45 × 10^20 cm-3. It is contributed to by the large grains in the materials reducing the grain boundaries, thus effectively reducing the recombination of the charge carriers.展开更多
We study the dynamics of fundamental and double-pole breathers and solitons for the focusing and defocusing nonlinear Schrodinger equation with the sextic operator under non-zero boundary conditions. Our analysis main...We study the dynamics of fundamental and double-pole breathers and solitons for the focusing and defocusing nonlinear Schrodinger equation with the sextic operator under non-zero boundary conditions. Our analysis mainly focuses onthe dynamical properties of simple- and double-pole solutions. Firstly, through verification, we find that solutions undernon-zero boundary conditions can be transformed into solutions under zero boundary conditions, whether in simple-pole ordouble-pole cases. For the focusing case, in the investigation of simple-pole solutions, temporal periodic breather and thespatial-temporal periodic breather are obtained by modulating parameters. Additionally, in the case of multi-pole solitons,we analyze parallel-state solitons, bound-state solitons, and intersecting solitons, providing a brief analysis of their interactions.In the double-pole case, we observe that the two solitons undergo two interactions, resulting in a distinctive “triangle”crest. Furthermore, for the defocusing case, we briefly consider two situations of simple-pole solutions, obtaining one andtwo dark solitons.展开更多
基金supported by the National Natural Science Foundation of China(Nos.U2267205 and 12475124)a ZSTU intramural grant(22062267-Y)Excellent Graduate Thesis Cultivation Fund(LW-YP2024011).
文摘Nuclear mass is an important property in both nuclear and astrophysics.In this study,we explore an improved mass model that incorporates a higher-order term of symmetry energy using algorithms.The sequential least squares programming(SLSQP)algorithm augments the precision of this multinomial mass model by reducing the error from 1.863 MeV to 1.631 MeV.These algorithms were further examined using 200 sample mass formulae derived from theδE term of the E_(isospin) mass model.The SLSQP method exhibited superior performance compared to the other algorithms in terms of errors and convergence speed.This algorithm is advantageous for handling large-scale multiparameter optimization tasks in nuclear physics.
基金National Natural Science Foundation of China(12374273,12421005,92464205)Hunan Provincial Major Sci-Tech Program(2023ZJ1010)+2 种基金Key Laboratory Foundation of Complex Environment Optoelectronic Information Perception of Ministry of EducationFundamental Research Funds for the Central Universities(YJSJ25020)Innovation Fund of Xidian University。
文摘The optical chirality of vortex structured light has attracted more and more attention in recent years due to its fascinating properties and wide potential applications.Such an issue is typically studied in a spatial medium.This work is devoted to the study of the optical chirality of vortex structured light in the temporal medium with timevarying permittivity.A full vector theoretical model is developed to describe the optical chirality of LaguerreGaussian(LG)vortex light beams that undergo the temporal reflection and transmission.
文摘Activating both metal and lattice oxygen sites for efficient oxygen evolution reactions(OER)is a critical challenge.This study pioneers a novel approach,employing cobalt-nickel glycerate solid spheres(CoNi-G SSs)as self-sacrificial templates to synthesize yolk-shell structured CoNi-G SSs@ZIF-67 nanospheres.The derived NiCo2S4@CoS2/MoS2 double-shelled hollow nanospheres integrate the adsorbate evolution mechanism(AEM)and lattice oxygen mechanism(LOM),enabling synergistic dual catalytic pathways.Nickel modulation facilitates active species reconstruction in NiCo_(2)S_(4),enhancing lattice oxygen activity and optimizing the LOM pathway.Characterization results indicate that anode activation triggered the redox processes of metal and lattice oxygen sites,involving the formation and re-filling of oxygen vacancies.Additionally,the CoS_(2)/MoS_(2) heterostructure enhances the AEM pathway,as supported by density functional theory calculations,which demonstrate optimized adsorption of intermediates for both hydrogen evolution reaction and OER.The assembled anion exchange membrane water splitting device can deliver a catalytic current of 500 mA cm^(-2) at 1.74 V under commercial catalytic operating conditions(1 mol L^(-1) KOH)for 150 h,with negligible degradation.This work provides important insights into the understanding of OER mechanisms and the design of high-performance water-splitting electrocatalysts,while also opening new avenues for developing multifunctional materials with multi-shell structures.
基金supported by the National Natural Science Foundation of China with Grant No.12274176 and No.12474210supported by the relevant national program+1 种基金support from Department of Science and Technology of Jilin Province with Grant No.20210301021GXthe Fundamental Research Funds for the Center Universities with Grant No.2023-JCXK-03。
文摘Li-rich Mn-based oxides(LRMO)are of great significance in achieving high energy density all-solid-state lithium batteries(ASSLBs),owing to their high theoretical capacity and high operation voltage.Unfortunately,their practical application is hindered by severe interface degradation due to the chemical oxidation and electrochemical decomposition of solid electrolytes(SEs),driven by high-active oxygen and electron sources from LRMO.Herein,an interfacial modification strategy is proposed to stabilize the surface lattice oxygen of LRMO and reduce electronic conduction between LRMO and SEs,synergistically.Accordingly,the byproducts from chemical oxidation(InO^(-))and electrochemical decomposition(LiCl^(-))are largely suppressed,leading to superior interfacial transport with the lowest resistance.Consequently,the ASSLB achieves a high reversible capacity of 227.9 mA h g^(-1)at 0.1 C,a cycling stability of 90.1%capacity retention after 200 cycles at 0.1 C,and a superior rate capability with a capacity of81.7 m A h g^(-1)at 3.0 C.This study enriches the fundamental understanding of LRMO/SEs interfacial evolution during the electrochemical cycling and the proposed interfacial modification strategy benefits the future design of Li-rich compounds for ASSLBs.
基金Project supported by the National Key R&D Program of China(Grant Nos.2022YFA1402503,2023YFA1406200,2023YFB3003001)the National Natural Science Foundation of China(Grant Nos.12074138 and 12047530)+2 种基金the Interdisciplinary Integration and Innovation Project of JLUFundamental Research Funds for the Central Universitiesthe Program for JLU Science and Technology Innovative Research Team(JLUSTIRT)。
文摘High-mobility semiconductor nanotubes have demonstrated great potential for applications in high-speed transistors,single-charge detection,and memory devices.Here we systematically investigated the electronic properties of single-walled boron antimonide(BSb)nanotubes using first-principles calculations.We observed that rolling the hexagonal boron antimonide monolayer into armchair(ANT)and zigzag(ZNT)nanotubes induces compression and wrinkling effects,significantly modifying the band structures and carrier mobilities through band folding andπ^(*)-σ^(*)hybridization.As the chiral index increases,the band gap and carrier mobility of ANTs decrease monotonically,where electron mobility consistently exceeds hole mobility.In contrast,ZNTs exhibit a more complex trend:the band gap first increases and then decreases,and the carrier mobility displays oscillatory behavior.In particular,both ANTs and ZNTs could exhibit significantly higher carrier mobilities compared to hexagonal monolayer and zinc-blende BSb,reaching 10^(-3)-10^(-7) cm^(-2)·V^(-1)·s^(-1).Our findings highlight strong curvature-induced modifications in the electronic properties of single-walled BSb nanotubes,demonstrating the latter as a promising candidate for high-performance electronic devices.
基金supported by the National Natural Science Foundation of China(Grant No.52403305)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB0880000)+1 种基金Tianchi Talent Program of Xinjiang Uygur Autonomous Region(Grant No.2024000068)Postdoctoral Fellow-ship Program(Grade C)(Grant No.GZC20232959)。
文摘The prediction of new fluorooxoborates as ultraviolet(UV)/deep ultraviolet(DUV)opto-electronic functional materials from a largely unexplored chemical space is a challenging task.It has been suggested that the anionic frameworks formed by B–O and B–O–F units significantly determine the physical properties of fluorooxoborates.Therefore,the rational design of anionic frameworks could facilitate the materials discovery process.Herein,we propose that a candidate anionic framework can be efficiently derived from an existing one by slightly altering its oxygen content.Following this idea,we hypothesized the existence of a 1D[B_(3)O_(5)F]_(∞)chain from the wellknown 2D[B_(6)O_(9)F_(2_)]_(∞)layer.Accordingly,seven CaB_(3)O_(5)F structures with the expected anionic framework were successfully predicted.First-principles calculations show that all these structures have potential in the UV/DUV birefringent or nonlinear optical(NLO)material field,indicating that the 1D[B_(3)O_(5)F]_(∞)chain is indeed a promising anionic framework for achieving UV/DUV birefringent and NLO performance.
基金funding from the National Natural Science Foundation of China (Award 91745203) supplemented by Central Universities’ Basic Research Funds.
文摘Ceramic cells promise ideal energy conversion and storage devices,making the development of efficient and robust air electrodes crucial for their application.In this study,a Ba_(0.4)Sr_(0.5)Cs_(0.1)Co_(0.7)Fe_(0.2)Nb_(0.1)O_(3−δ)(BSCCFN)air electrode,based on Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3−δ)(BSCF),is designed using a perovskite A-B-site ionic Lewis acid strength(ISA)polarization distribution strategy and is successfully applied in both oxygen-ion conducting solid oxide fuel cells(O-SOFCs)and proton-conducting reversible protonic ceramic cells(R-PCCs).When BSCCFN is used as the air electrode in O-SOFCs,a peak power density(PPD)of 1.45 W cm^(−2)is achieved at 650°C,whereas in R-PCCs,a PPD of 1.13 W cm^(−2)and a current density of−1.8 A cm^(−2)at 1.3 V are achieved at the same temperature and show stable reversibility over 100 h.Experimental measurements and theoretical calculations demonstrate that low-ISA Cs+doping accelerates the reaction kinetics of both oxygen ions and protons,while high-ISA Nb^(5+)doping enhances electrode stability.The synergistic effect of Cs^(+)and Nb^(5+)co-doping in the BSCCFN electrode lies in the ISA polarization distribution,which weakens the Co/Fe–O bond covalency,thereby promoting oxygen vacancy formation and facilitating the conduction of oxygen ions and protons.
基金financial support from the National Key Research and Development Program(No.2016YFC1102802)National NaturalScience Foundation of China(No. 21273097)+2 种基金the Science and Technology Development Project of Jilin Province of China (No. 20130204003GX)the Thirteen Fifth Science and Technology Project of the Ministry of Education of Jilin Province (No. JJKH20181293KJ)the Graduate Innovation Fund of Jilin University (No. 2015141)
文摘Renewable biomass-derived activated carbons have attracted attentions for supercapacitor applications. Rice husk is a kind of abundant biomass, which has been studied for the preparation of hierarchical activated carbons. Rice husk is rich in silica. Silica in rice husk affects the formation of pore structure in the KOH activation process, which further affects the electrochemical performance of the resultant activated carbon for supercapacitors. In this paper, the effects of silica in rice husk on the activation process were investigated. When the silica in rice husk is not removed, KOH preferentially reacts with silica to produce silicate, which hinders the formation and enlargement of mesopores;the obtained activated carbon exhibits high microporous ratio, high specific area (up to 3263 m^2/g), high specific capacitance (315 F/g at 0.5 A/g), but poor rate capability (51.7%capacitance retention with increasing the current density from 0.5 A/g to 20 A/g). When the silica in rice husk is removed, the pores produced by the removal of silica are etched to mesopores in activation process;the obtained activated carbon exhibits high mesoporous ratio, relative high specific surface area of 2804 m2/g and relative high capacitance of 278 F/g at 0.5 A/g with excellent rate capability (76.6%capacitance retention with increasing the current density from 0.5 A/g to 20 A/g).
基金supported by the Program for New Century Excellent Talents in University(NCET-06-0268)Natural Science Foundation of Inner Mongolia(2010ZD03)
文摘Perovskite oxide LaMnO3 was prepared by sol-gel method and the nanosize Au/LaMnO3 catalyst was prepared by deposition-precipitation（DP） method in the paper.Characterization of the catalyst sample was made by X-ray diffractometer（XRD）,atom absorption spectra（AAS） and X-ray photoelectron spectroscopy（XPS） instrumental methods.The activity,long-term stability and the reasons for deactivation of the gold catalyst in CO oxidation were investigated.The experiment results demonstrated that the Au/LaMnO3 catalyst exhibited high stability in the ambient storage process.However,the gradual decrease in initial activity during 100 h reaction was still observed,which could be ascribed to the aggregation of gold particles and the transfer from gold ion to the metal gold.
基金financially supported by the National Natural Science Foundation of China (51702063)Ministry of Science and Technology of China (No. 2015CB251103)+2 种基金the Science & Technology Department of Jilin Province (No. 20140520093JH)the Open Project of State Key Laboratory of Superhard Materials (Jilin University, No. 201513)the Fundamental Research Funds for the Central Universities (No. GK2100260182)
文摘Two-dimensional(2D)metal carbides,MXene,present the promising application for the energy storage system.Among the MXene family,Ti_2CT_xas the lightest material,shows its unique electrochemical performance.Herein,Ti_2CT_xis synthesized by selective etching Al layer from the Ti_2Al C.With the optimized HF treating condition,Ti_2CT_xdisplays high volumetric capacitance and remarkable rate ability.Moreover,the Ti_2CT_x//Ti_2CT_xsymmetric supercapacitor is designed and assembled,which presents capable capacitance,outstanding rate performance and excellent cycling performance.The remarkable electrochemical performance is attributed to its 2D structure and high electronic conductivity.This work demonstrates the potential application of the Ti_2CT_xfor the supercapacitors and provides a template to design highperformance supercapacitors with 2D electrode materials.
基金supported by the National Key R&D Program of China(No.2016YFC1102802)the Natural Science Foundation of Jilin Province(No.20200201020JC)the Open Project of State Key Laboratory of Supramolecular Structure and Materials(No.sklssm202011)。
文摘Due to the increasingly depleted limited fossil fuel resources,the development of renewable energy is the key to promote sustainable development which is an important part of the energy strategy[1].NH3 is one of most important and largest chemical productions in the world,it can be used as a feedstock for nitrogen fertilizer productions[2,3]or as a carbon-free energy carrier[4,5].
基金Project supported by the Ningxia College Scientific Research Project(NGY2017161)the National Natural Science Foundation of China(51342007,11864001,61461001)+4 种基金the National Key Basic Research Program(2011CB612310)the Ningxia First-class Discipline and Scientific Research Projects(Electronic Science and Technology,NXYLXK2017A07)Natural Science Foundation of Ningxia(NZ17104)the Key Research and Development Program of Ningxia Province(2018BEE03015)the Key Laboratory of North Minzu University(intelligent perception control)
文摘Bi_4 Si_3 O_(12):RE(BSO:RE, RE = Eu^(3+), Sm^(3+), Ho^(3+), Tb^(3+)) crystals were grown by the modified vertical Bridgeman method, and doping effects on scintillation properties were investigated. Under γ-ray irradiation, the light yield of BSO doped with small doses of Eu^(3+) increases slightly, and the energy resolution improves significantly compared to pure BSO, therefore the ability of distinguishing between particles will be improved for BSO crystals with a small amount of Eu^(3+) dopant. The results show that a small amount of Eu^(3+) doping can sensitize the Bi^(3+) ions. The sensitization effect enables the reduction of intrinsic defects, and thus improves the scintillation properties. However, the relative light yield of BSO:Tb(1.0 mol%) crystal is 4.3%, which is smaller than 5.0% of pure BSO. The improved light yield and energy resolution in the BSO:Eu and BSO:Sm crystals are considered an impressive achievement in the optimization of this scintillator which is already suitable for applications such as dual-readout calorimeters and homogeneous hadron calorimeters.
基金the National Natural Science Foundation of China(No.11974129 to X.-F.W.)“the Fundamental Research Funds for the Central Universities,Jilin University.”。
文摘Two-dimensional(2D)perovskites solar cells(PSCs)have attracted considerable attention owing to their excellent stability against humidity;however,some imperfectness of 2D perovskites,such as poor crystallinity,disordered orientation,and inferior charge transport still limit the power conversion efficiency(PCE)of 2D PSCs.In this work,2D Ti3C2Tx MXene nanosheets with high electrical conductivity and mobility were employed as a nanosized additive to prepare 2D Ruddlesden–Popper perovskite films.The PCE of solar cells was increased from 13.69(without additive)to 15.71%after incorporating the Ti_(3)C_(2)T_(x) nanosheets with an optimized concentration.This improved performance is attributed to the enhanced crystallinity,orientation,and passivated trap states in the 3D phase that result in accelerated charge transfer process in vertical direction.More importantly,the unencapsulated cells exhibited excellent stability under ambient conditions with 55±5%relative humidity.
基金financial support from National Natural Science Foundation of China(Nos.52020105010,51972313,51927803,52072378,51902316 and 51525206)the Strategic Priority Research Program of the Chinese Academy of Sciences(XDA22010602)+2 种基金LiaoNing Revitalization Talents Program(No.XLYC1908015)Youth Innovation Promotion Association of the Chinese Academy of Sciences(No.Y201942)the Special Projects of the Central Government in Guidance of Local Science and Technology Development(No.2020JH6/10500024)。
文摘Room temperature sodium–sulfur(RT Na-S)battery with high theoretical energy density and low cost has spurred tremendous interest,which is recognized as an ideal candidate for large-scale energy storage applications.However,serious sodium polysulfide shutting and sluggish reaction kinetics lead to rapid capacity decay and poor Coulombic efficiency.Recently,catalytic materials capable of adsorbing and catalyzing the conversion of polysulfides are profiled as a promising method to improve electrochemical performance.In this review,the research progress is summarized that the application of catalytic materials in RT Na-S battery.For the role of catalyst on the conversion of sulfur species,specific attention is focused on the influence factors of reaction rate during different redox processes.Various catalytic materials based on lightweight and high conductive carbon materials,including heteroatom-doped carbon,metals and metal compounds,single-atom and heterostructure,promote the reaction kinetic via lowered energy barrier and accelerated charge transfer.Additionally,the adsorption capacity of the catalytic materials is the key to the catalytic effect.Particular attention to the interaction between polysulfides and sulfur host materials is necessary for the exploration of catalytic mechanism.Lastly,the challenges and outlooks toward the desired design of efficient catalytic materials for RT Na-S battery are discussed.
基金supported by the Nature Science Foundation of Changchun Normal University and Research Foundation for Advanced Doctor of Changchun Normal University。
文摘The approach of substituting electrochemically active with inactive elements has widely been used to improve the electrochemical performance of Li-rich intercalation cathode materials. This especially is true for Li-rich compounds where almost all of the Li+ions are reversibly(de)intercalated during electrochemical cycling. The beneficial mechanism behind this substitution with electrochemically inactive elements is still not clear yet. Li_(2)RuO_(3) is chosen as basis for a model solid solution system to investigate the effect of electrochemically inactive elements owing to its high specific capacity of more than 300 m Ah g^(-1) and the significant contribution of anion redox mechanism. Herein, Li_(2)Ru_(1-x)Ti_xO_(3) solid solution series are synthesized and the effect of substituting with electrochemical inactive Ti for Ru on structure and electrochemical performance have been comprehensively investigated. The electrochemical performance is significantly improved, especially for Li_(2)Ru_(0.8)Ti_(0.2)O_(3), and the capacity retention after 50 cycles increases from 81% to 90%, as compared to the end member Li_(2)RuO_(3). Results of electrochemical impedance spectroscopy show that Ti substitution reduces the charge transfer impedance, which favors the Li+diffusion across the electrolyte–electrode interface and improves the electronic conductivity. For the first time,nuclear magnetic resonance was utilized to confirm that a small part of Ti ions exchange their position with Li ions in the Li layer. This research provides a better understanding of electrochemical inactive element substitution and strong insights for the functional design of the next generation of Li-rich cathode materials.
文摘A magnetic state equation of the MnFeP0.45As0.55 compound has been obtained by minimizing the Gibbs free energy with respect to the volume and the magnetization based on the Bean-Rodbell model. The isothermal magnetization of the compound has been calculated using this equation. The magnetic entropy change of the compound was determined from the surface area between the two adjacent isothermal magnetization curves divided by the average temperature. A comparison and an error analysis of the calculated magnetic entropy change and the one determined from the experimental data were given.
基金supported by the National Natural Science Foundation of China(Nos.21203008,21975025,12274025)the Hainan Province Science and Technology Special Fund(Nos.ZDYF2021SHFZ232,ZDYF2023GXJS022)the Hainan Province Postdoctoral Science Foundation(No.300333)。
文摘The sulfide-based solid-state electrolytes(SEs)reactivity toward moisture and Li-metal are huge barriers that impede their large-scale manufactu ring and applications in all-solid-state lithium batteries(ASSLBs).Herein,we proposed an Al and O dual-doped strategy for Li_(3)PS_(4)SE to regulate the chemical/electrochemical stability of anionic PS_(4)^(3-)tetrahedra to mitigate structural hydrolysis and parasitic reactions at the SE/Li interface.The optimized Li_(3.08)A_(10.04)P_(0.96)S_(3.92)O_(0.08)SE presents the highestσLi+of 3.27 mS cm^(-1),which is~6.8 times higher than the pristine Li_(3)PS_(4)and excellently inhibits the structural hydrolysis for~25 min@25%humidity at RT.DFT calculations confirmed that the enhanced chemical stability was revealed to the intrinsically stable entities,e.g.,POS33-units.Moreover,Li_(3.08)Al_(0.04)P_(0.96)S_(3.92)O_(0.08)SE cycled stably in Li//Li symmetric cell over 1000 h@0.1 mA cm^(-2)/0.1 mA h cm^(-2),could be revealed to Li-Al alloy and Li_(2)Oat SE/Li interface impeding the growth of Li-dendrites during cycling.Resultantly,LNO@LCO/Li_(3.08)Al_(0.04)P_(0.96)S_(3.92)O_(0.08)/Li-In cell delivered initial discharge capacities of 129.8 mA h g^(-1)and 83.74%capacity retention over 300 cycles@0.2 C at RT.Moreover,the Li_(3.08)Al_(0.04)P_(0.96)S_(3.92)O_(0.08)SE presented>90%capacity retention over 200 and 300 cycles when the cell was tested with LiNi_(0.8)Co_(0.15)Al_(0.05)O_(2)(NCA)cathode material vs.5 and 10 mg cm^(-2)@RT.
基金Project supported by the National Fundamental Fund of Personnel Training,China(Grant No.J1103210)
文摘In this paper, the magnetic properties, electronic structures and the stabilities of Zn/Cd incorporated two-dimensional Al N nanosheets are investigated by the first-principles method. Numerical results indicate that Zn and Cd substituting Al atom in Al N nanosheets introduce some holes into the 2p orbitals of the N atoms, and the holes mainly come from spindown 2p orbitals of the N atoms. The magnetic moment of 1.0 μBis produced by Zn/Cd doping Al N nanosheets, and the main component of the magnetic moment of the system is contributed by the partially filled 2p states of the N atoms around the dopant. In particular, when Zn/Cd substituting Al atoms, the magnetic coupling is found to be ferromagnetic. We attribute the hole-mediated p–d interaction to the created ferromagnetic coupling. More importantly, the result of formation energy indicates that Al atom is more inclined to be replaced by Zn atom rather than Cd. This finding is beneficial to developing the spin electronic devices.
基金Supported by the National Natural Science Foundation of China under Grant Nos 10874178,11074093,61205038 and 11274135the National Found for Fostering Talents of Basic Science under Grant No J1103202+2 种基金the Ph.D.Programs Foundation of Ministry of Education of China under Grant No 20120061120011the Open Project of State Key Laboratory of Superhard Materials of Jilin Universitythe State Key Laboratory of Inorganic Synthesis and Preparative Chemistry of Jilin University
文摘High-density Cu2ZnSnS4 （CZTS） materials are prepared via the mechanical alloying and high pressure sintering method using Cu2S, ZnS and SnS2 as the raw materials. The morphological, structural, compositional and electrical properties of the materials are investigated by using x-ray diffraction, scanning electron microscopy, and energy dispersive x-ray spectroscopy, as well as by the Raman scattering and the Hall EFfect measurements. The CZTS synthesized under 5 GPa and 800℃ shows a p-type conductivity, with a resistivity of 9.69 × 10^-2 Ω.cm and a carrier concentration of 1.45 × 10^20 cm-3. It is contributed to by the large grains in the materials reducing the grain boundaries, thus effectively reducing the recombination of the charge carriers.
基金the Fundamental Research Funds for the Central Universities(Grant No.2024MS126).
文摘We study the dynamics of fundamental and double-pole breathers and solitons for the focusing and defocusing nonlinear Schrodinger equation with the sextic operator under non-zero boundary conditions. Our analysis mainly focuses onthe dynamical properties of simple- and double-pole solutions. Firstly, through verification, we find that solutions undernon-zero boundary conditions can be transformed into solutions under zero boundary conditions, whether in simple-pole ordouble-pole cases. For the focusing case, in the investigation of simple-pole solutions, temporal periodic breather and thespatial-temporal periodic breather are obtained by modulating parameters. Additionally, in the case of multi-pole solitons,we analyze parallel-state solitons, bound-state solitons, and intersecting solitons, providing a brief analysis of their interactions.In the double-pole case, we observe that the two solitons undergo two interactions, resulting in a distinctive “triangle”crest. Furthermore, for the defocusing case, we briefly consider two situations of simple-pole solutions, obtaining one andtwo dark solitons.
