The magnetic properties and microstructure of diffusion annealed [Ta/Nd/NdFeB/Nd/Ta]thin films have been investigated. The films were deposited on Si substrate with various thickness ratio of Nd/NdFeB layer (R=0～3.3)...The magnetic properties and microstructure of diffusion annealed [Ta/Nd/NdFeB/Nd/Ta]thin films have been investigated. The films were deposited on Si substrate with various thickness ratio of Nd/NdFeB layer (R=0～3.3), then diffused and crystallized by annealing at 650℃ for 10 min. The film without Nd layer showed soft magnetic behavior and high content of a-Fe phase. The films with R > =1 showed good hard magnetic properties with the high coercivity of about 20 kOe.展开更多
This study integrates experimental investigation with molecular dynamics simulations to elucidate the hydrogen transport mechanisms in polyetheretherketone(PEEK)and polytetrafluoroethylene(PTFE),offering fundamental i...This study integrates experimental investigation with molecular dynamics simulations to elucidate the hydrogen transport mechanisms in polyetheretherketone(PEEK)and polytetrafluoroethylene(PTFE),offering fundamental insights into the barrier properties of high-performance polymeric materials.Experimental results demonstrate that PEEK exhibits superior hydrogen barrier performance compared to PTFE at both ambient and elevated temperatures.However,detailed molecular dynamics simulations uncover a distinctive,enthalpy-driven"high solubility-low diffusivity"transport mechanism:although PEEK displays higher hydrogen solubility due to its stronger thermodynamic affinity,its diffusion coefficient is markedly lower than that of PTFE.This mechanism remains operative across a broad operational temperature range(233 K to358 K),yet its influence on overall permeability is strongly temperature-dependent.At room and high temperatures,the exceptionally low diffusivity of PEEK governs the entire permeation process,establishing its effectiveness as a high-performance hydrogen barrier material.In contrast,under low-temperature conditions(e.g.,233 K),the general suppression of diffusion allows the high solubility of PEEK to dominate,resulting in greater overall permeability than PTFE and giving rise to a performance“reversal”phenomenon.This distinct transport behavior originates from the strong non-covalent interactions between hydrogen molecules and the aromatic rings as well as polar functional groups present in the amorphous regions of PEEK,which simultaneously enhance solubility and impose significant kinetic energy barriers.The"structure-mechanism"correlation framework established in this work provides a robust theoretical foundation for the rational design of next-generation hydrogen barrier materials tailored to specific operational temperature requirements.展开更多
Helium is the second most abundant element in the universe, and together with silica, they are important components of giant planets. Exploring the reactivity and state of helium and silica under high pressure is cruc...Helium is the second most abundant element in the universe, and together with silica, they are important components of giant planets. Exploring the reactivity and state of helium and silica under high pressure is crucial for understanding of the evolution and internal structure of giant planets. Here, using first-principles calculations and crystal structure predictions, we identify four stable phases of a helium-silica compound with seven/eight-coordinated silicon atoms at pressure of 600–4000 GPa, corresponding to the interior condition of the outer planets in the solar system. The density of He Si O2 agrees with current structure models of the planets.This helium-silica compound exhibits a superionic-like helium diffusive state under the high-pressure and hightemperature conditions along the isentropes of Saturn, a metallic fluid state in Jupiter, and a solid state in the deep interiors of Uranus and Neptune. These results show that helium may affect the erosion of the rocky core in giant planets and may help to form a diluted core region, which not only highlight the reactivity of helium under high pressure but also provide evidence helpful for building more sophisticated interior models of giant planets.展开更多
Transition-metal phosphides(TMPs)-based hybrid structure have received considerable attention for efficient sodium storage owing to their high capacity and decent reversibility.However,the volume expansion&the poo...Transition-metal phosphides(TMPs)-based hybrid structure have received considerable attention for efficient sodium storage owing to their high capacity and decent reversibility.However,the volume expansion&the poor electronic conductivity of TMPs,the poor-rate capability,and fast capacity decay greatly hinder its practical application.To address these issues,a low-cost and facile strategy for the synthesis of Ni,N-codoped graphitized carbon(C)and cobalt phosphide(CoP)embedded in carbon fiber(Ni-CoP@CN⊂CF)as self-supporting anode material is demonstrated for the first time.The graphitized carbon and carbon fiber improve the electrical conductivity and inhibit the volume expansion issues.In addition to that,the microporous structure,and ultrasmall sized Ni-CoP offer a high surface area for electrolyte wettability,short Na-ion diffusion path and fast charge transport kinetics.As a result,outstanding electrochemical performance with an average capacity decay of 0.04%cycle^(−1)at 2000 mA g^(−1),an excellent rate capability of 270 mAh g^(−1)@2000 mA g^(−1)and a high energy density of~231.1 Wh kg^(−1)is achieved with binder-free self-supporting anode material.This work shows a potential for designing binder-free and high energy density sodium-ion batteries.展开更多
文摘The magnetic properties and microstructure of diffusion annealed [Ta/Nd/NdFeB/Nd/Ta]thin films have been investigated. The films were deposited on Si substrate with various thickness ratio of Nd/NdFeB layer (R=0～3.3), then diffused and crystallized by annealing at 650℃ for 10 min. The film without Nd layer showed soft magnetic behavior and high content of a-Fe phase. The films with R > =1 showed good hard magnetic properties with the high coercivity of about 20 kOe.
基金financially supported by the National Natural Science Foundation of China(No.5247401)the Research and Technology Development Project of the China National Petroleum Corporation(No.2021DJ5002(JT))。
文摘This study integrates experimental investigation with molecular dynamics simulations to elucidate the hydrogen transport mechanisms in polyetheretherketone(PEEK)and polytetrafluoroethylene(PTFE),offering fundamental insights into the barrier properties of high-performance polymeric materials.Experimental results demonstrate that PEEK exhibits superior hydrogen barrier performance compared to PTFE at both ambient and elevated temperatures.However,detailed molecular dynamics simulations uncover a distinctive,enthalpy-driven"high solubility-low diffusivity"transport mechanism:although PEEK displays higher hydrogen solubility due to its stronger thermodynamic affinity,its diffusion coefficient is markedly lower than that of PTFE.This mechanism remains operative across a broad operational temperature range(233 K to358 K),yet its influence on overall permeability is strongly temperature-dependent.At room and high temperatures,the exceptionally low diffusivity of PEEK governs the entire permeation process,establishing its effectiveness as a high-performance hydrogen barrier material.In contrast,under low-temperature conditions(e.g.,233 K),the general suppression of diffusion allows the high solubility of PEEK to dominate,resulting in greater overall permeability than PTFE and giving rise to a performance“reversal”phenomenon.This distinct transport behavior originates from the strong non-covalent interactions between hydrogen molecules and the aromatic rings as well as polar functional groups present in the amorphous regions of PEEK,which simultaneously enhance solubility and impose significant kinetic energy barriers.The"structure-mechanism"correlation framework established in this work provides a robust theoretical foundation for the rational design of next-generation hydrogen barrier materials tailored to specific operational temperature requirements.
基金the financial support from the National Natural Science Foundation of China (Grant Nos. 12125404, 11974162, and 11834006)the Fundamental Research Funds for the Central Universities。
文摘Helium is the second most abundant element in the universe, and together with silica, they are important components of giant planets. Exploring the reactivity and state of helium and silica under high pressure is crucial for understanding of the evolution and internal structure of giant planets. Here, using first-principles calculations and crystal structure predictions, we identify four stable phases of a helium-silica compound with seven/eight-coordinated silicon atoms at pressure of 600–4000 GPa, corresponding to the interior condition of the outer planets in the solar system. The density of He Si O2 agrees with current structure models of the planets.This helium-silica compound exhibits a superionic-like helium diffusive state under the high-pressure and hightemperature conditions along the isentropes of Saturn, a metallic fluid state in Jupiter, and a solid state in the deep interiors of Uranus and Neptune. These results show that helium may affect the erosion of the rocky core in giant planets and may help to form a diluted core region, which not only highlight the reactivity of helium under high pressure but also provide evidence helpful for building more sophisticated interior models of giant planets.
基金supported by National Natural Science Foundation of China(Grant No.U1710256,U1810115 and 52072256)ShanXi Science and Technology Major Project(Grant No.20181102018,20181102019 and 20201101016)
文摘Transition-metal phosphides(TMPs)-based hybrid structure have received considerable attention for efficient sodium storage owing to their high capacity and decent reversibility.However,the volume expansion&the poor electronic conductivity of TMPs,the poor-rate capability,and fast capacity decay greatly hinder its practical application.To address these issues,a low-cost and facile strategy for the synthesis of Ni,N-codoped graphitized carbon(C)and cobalt phosphide(CoP)embedded in carbon fiber(Ni-CoP@CN⊂CF)as self-supporting anode material is demonstrated for the first time.The graphitized carbon and carbon fiber improve the electrical conductivity and inhibit the volume expansion issues.In addition to that,the microporous structure,and ultrasmall sized Ni-CoP offer a high surface area for electrolyte wettability,short Na-ion diffusion path and fast charge transport kinetics.As a result,outstanding electrochemical performance with an average capacity decay of 0.04%cycle^(−1)at 2000 mA g^(−1),an excellent rate capability of 270 mAh g^(−1)@2000 mA g^(−1)and a high energy density of~231.1 Wh kg^(−1)is achieved with binder-free self-supporting anode material.This work shows a potential for designing binder-free and high energy density sodium-ion batteries.
