Currently,simultaneous regulation of external morphology and internal electronic structure for Na_(3)V_(2)(PO_(4))_(3)(NVP)is rarely realized.Herein,complexes of β-cyclodextrin(βCD)and ethylenediaminetetraacetic aci...Currently,simultaneous regulation of external morphology and internal electronic structure for Na_(3)V_(2)(PO_(4))_(3)(NVP)is rarely realized.Herein,complexes of β-cyclodextrin(βCD)and ethylenediaminetetraacetic acid ferric sodium salt(EDTAFeNa)are utilized for the one-step preparation of NVP with spherical morphology as well as Fe substitution.βCD is initially hydrolyzed into glucose,and then carbon microspheres with numerous pores are formed through continuous dehydration and carbonization.The intermediate hydroxymethylfurfural is rich in active functional groups,which are attractive for the V/P-contained raw materials.Accordingly,the nucleation sites for NVP are successfully limited in the spherical framework,possessing a superior surface area of 97.15 g m^(-2).Furthermore,the beneficial Fe in EDTAFeNa enters into the NVP bulk to construct a novel Fe-doped Na_(3)V_(1.95)Fe_(0.05)(PO_(4))_(3)(NVP/β-ISC)material.Fe-substitution induces significant optimizations of electronic structure for NVP,which has been verified by the newly generated abundant oxygen vacancies and extended V-O bond length.Moreover,a multielectron reaction is activated,resulting from the V^(4+)/V^(5+)redox couple.The charge compensation mechanism of NVP/β-ISC is also deeply investigated.Density functional theory(DFT)calculations theoretically elaborate the mechanism of Fe-doping.Consequently,NVP/β-ISC reveals superior sodium storage performance in both half and full cells and even at different extreme conditions(needling,soaking,bending,and freezing).展开更多
The morphologies and phase diagrams exhibited by symmetric ABC star triblock copolymer nanoparticles are investigated on the basis of real-space self-consistent field theory. The ABC star triblock copolymers were chos...The morphologies and phase diagrams exhibited by symmetric ABC star triblock copolymer nanoparticles are investigated on the basis of real-space self-consistent field theory. The ABC star triblock copolymers were chosen to be tiling-forming with fixed polymer parameter and the spherical boundaries were modeled using the masking technique. We first study a number of examples where the ABC triblock copolymers confined in spherical cavities with neutral surface. Then, two types of spherical cavity distinct preferential surfaces are considered, including both A-block attractive and repulsive preferential surfaces. We aim at the effects due to various spherical cavity diameters and the degree of interactions between the polymer and the spherical surface. A variety of morphologies, such as ring-like structures, concentric sphere, and irregular cylinder, were identified in phase diagrams. The results show that both the degree of interactions and spherical diameters can influence the formation of morphologies so that ring-like structures and other novel structures could be obtained.展开更多
It is anticipated to remove highly hazardous tetracycline antibiotic from aqueous solution photocatalytically by using Gd doped spinal ferrite.In this work,both ZnFe_(2)O_(4)and Gd doped ZnFe_(2)O_(4)photocatalysts we...It is anticipated to remove highly hazardous tetracycline antibiotic from aqueous solution photocatalytically by using Gd doped spinal ferrite.In this work,both ZnFe_(2)O_(4)and Gd doped ZnFe_(2)O_(4)photocatalysts were hydrothermally fabricated and characterized by different techniques.The spherical photocatalysts show extended photocatalytic removal efficiency under visible light.The optimized sample(ZnFe_(1.96)Cd_(0.04)O_(4))removes 78%antibiotic in 80 min.Moreover,under simulated solar light irradiation,the rate of hydrogen produced from water splitting photocatalysis with ZnFe_(1.96)Cd_(0.04)O_(4)reaches 230.4μmol/(g h).These increased activities are attributed to the increased specific surface area,the expanded light absorption range and the enhanced charge separation realized by doping Gd.According to the charge trapping study,both superoxide(·O_(2)^(-))and hydroxyl radicals(·OH)were the major active species in the process of removing antibiotic.This research provides a feasible way to fabricate low cost photocatalysts for the eradication of highly hazardous pollutants from aqueous solution.展开更多
Brownian dynamics simulations are employed to explore the effects of chain stiffness and trivalent salt concentration on the conformational behavior of spherical polyelectrolyte brush. The rigid brush adopts bundle-li...Brownian dynamics simulations are employed to explore the effects of chain stiffness and trivalent salt concentration on the conformational behavior of spherical polyelectrolyte brush. The rigid brush adopts bundle-like morphology at a wide range of trivalent salt concentration. The number variation of bundles pinned on the colloid surface shows a non-monotonic profile as a function of the chain stiffness. The radial distributions of monomers and ions and the charge ratio between condensed ions and monomers are calculated. The charge inversion is observed for the high salt concentration regardless of chain rigidity. Furthermore, the pair correlation functions of monomer-monomer and monomer-salt cation are used to elucidate the aggregated mechanism of the bundle-like structure.展开更多
Polymerization of propylene was carried out under bulk process at 70 degrees C using the supported metallocene catalyst with four kinds of SiO2 as carrier with triethylaluminum used as cocatalyst. The morphology of th...Polymerization of propylene was carried out under bulk process at 70 degrees C using the supported metallocene catalyst with four kinds of SiO2 as carrier with triethylaluminum used as cocatalyst. The morphology of the products was studied by SEM. It was found the property of the carriers gave great effect on the fine structure of the products as well as the apperance.展开更多
The effect of solid-solution-treatment on the semisolid microstructure of Zn-22Al with developed dendrites was investigated. Forming Zn-22Al products by semisolid metal processing offers significant advantages, such a...The effect of solid-solution-treatment on the semisolid microstructure of Zn-22Al with developed dendrites was investigated. Forming Zn-22Al products by semisolid metal processing offers significant advantages, such as reductions in macro-segregation, porosity and forming costs. Thermal and rnicrostructural analyses of the formed Zn-22Al alloy were performed by differential scanning calorimetry, scanning electron microscopy and optical microscopy. The changes in the microstructures and phase transformation in response to various solid- solution-treatments were analysed. In this study, as-cast samples were held isothermally at 330 ℃ for 0.5- 5 h and then partially remelted at a semisolid temperature of 438 ℃ for 1 h to produce a solid-globular grain structure in a liquid matrix. A non-dendritic semisolid microstructure could not be obtained when the traditionally cast Zn 22Al alloy with developed dendrites was subjected directly to partial remelting. After solid-solution-treatment at 330 ℃, the black interdendritic eutectics were dissolved, and the dendritic structures gradually transformed into uniform β structures when the treatment time was increased. The coarsened and merged dendrites were separated as a result of penetration by the liquid phase and melting of the residual eutectic at sites along the former grain boundaries. The microstructure of the solid-solution- treated sample transformed into a small globular structure; the best shape factor of 0.9, corresponding to a particle size of 40 ± 16 μm, is achieved when the sample was treated for 3 h followed by direct partial remelting into its semisolid zone.展开更多
Characteristics of spherical particles on copper powder and changing sizes were studied in a ball mill under various experimental conditions,such as different ball diameters,high rotation speeds,and milling times,usin...Characteristics of spherical particles on copper powder and changing sizes were studied in a ball mill under various experimental conditions,such as different ball diameters,high rotation speeds,and milling times,using a discrete element method(DEM)simulation.This experiment has investigated the characteristics of spherical particle morphology evolution involved in the mechanical alloying of copper powder.The morphological evolution of the copper particle was analyzed using scanning electron microscopy(SEM).A spherical copper particle was shown with a roundness value using imageJ software.The DEM was used to simulate the ball motion in a planetary ball mill,and the impact energy and shear energy generated during the collision were analyzed to estimate the contact number between the ball and the ball wall.Therefore,as the size of the ball decreased,the number of ball-to-ball and ball-to-wall contacts increased accordingly,and the spherical shape of the copper powder changed.展开更多
基金financially supported by the Key Research and Development(R&D)Projects of Shanxi Province(202202040201005)the Graduate Innovation Project of Shanxi Province(No.2024SJ261)。
文摘Currently,simultaneous regulation of external morphology and internal electronic structure for Na_(3)V_(2)(PO_(4))_(3)(NVP)is rarely realized.Herein,complexes of β-cyclodextrin(βCD)and ethylenediaminetetraacetic acid ferric sodium salt(EDTAFeNa)are utilized for the one-step preparation of NVP with spherical morphology as well as Fe substitution.βCD is initially hydrolyzed into glucose,and then carbon microspheres with numerous pores are formed through continuous dehydration and carbonization.The intermediate hydroxymethylfurfural is rich in active functional groups,which are attractive for the V/P-contained raw materials.Accordingly,the nucleation sites for NVP are successfully limited in the spherical framework,possessing a superior surface area of 97.15 g m^(-2).Furthermore,the beneficial Fe in EDTAFeNa enters into the NVP bulk to construct a novel Fe-doped Na_(3)V_(1.95)Fe_(0.05)(PO_(4))_(3)(NVP/β-ISC)material.Fe-substitution induces significant optimizations of electronic structure for NVP,which has been verified by the newly generated abundant oxygen vacancies and extended V-O bond length.Moreover,a multielectron reaction is activated,resulting from the V^(4+)/V^(5+)redox couple.The charge compensation mechanism of NVP/β-ISC is also deeply investigated.Density functional theory(DFT)calculations theoretically elaborate the mechanism of Fe-doping.Consequently,NVP/β-ISC reveals superior sodium storage performance in both half and full cells and even at different extreme conditions(needling,soaking,bending,and freezing).
基金financially supported by the National Natural Science Foundation of China(Nos.21074096,21474076 and 31340026)the Natural Science Foundation of Zhejiang Province(Nos.Y4090174,LY12A04004,LQ12E01003 and Z13F020019)X.W thanks the funding from the Advanced Talent Program of Wenzhou
文摘The morphologies and phase diagrams exhibited by symmetric ABC star triblock copolymer nanoparticles are investigated on the basis of real-space self-consistent field theory. The ABC star triblock copolymers were chosen to be tiling-forming with fixed polymer parameter and the spherical boundaries were modeled using the masking technique. We first study a number of examples where the ABC triblock copolymers confined in spherical cavities with neutral surface. Then, two types of spherical cavity distinct preferential surfaces are considered, including both A-block attractive and repulsive preferential surfaces. We aim at the effects due to various spherical cavity diameters and the degree of interactions between the polymer and the spherical surface. A variety of morphologies, such as ring-like structures, concentric sphere, and irregular cylinder, were identified in phase diagrams. The results show that both the degree of interactions and spherical diameters can influence the formation of morphologies so that ring-like structures and other novel structures could be obtained.
基金Project supported by the National Natural Science Foundation of China(22268003,52272287)。
文摘It is anticipated to remove highly hazardous tetracycline antibiotic from aqueous solution photocatalytically by using Gd doped spinal ferrite.In this work,both ZnFe_(2)O_(4)and Gd doped ZnFe_(2)O_(4)photocatalysts were hydrothermally fabricated and characterized by different techniques.The spherical photocatalysts show extended photocatalytic removal efficiency under visible light.The optimized sample(ZnFe_(1.96)Cd_(0.04)O_(4))removes 78%antibiotic in 80 min.Moreover,under simulated solar light irradiation,the rate of hydrogen produced from water splitting photocatalysis with ZnFe_(1.96)Cd_(0.04)O_(4)reaches 230.4μmol/(g h).These increased activities are attributed to the increased specific surface area,the expanded light absorption range and the enhanced charge separation realized by doping Gd.According to the charge trapping study,both superoxide(·O_(2)^(-))and hydroxyl radicals(·OH)were the major active species in the process of removing antibiotic.This research provides a feasible way to fabricate low cost photocatalysts for the eradication of highly hazardous pollutants from aqueous solution.
基金financially supported by the National Natural Science Foundation of China (No. 21474005)the Fundamental Research Funds for the Central Universities (No. 3122016L011)
文摘Brownian dynamics simulations are employed to explore the effects of chain stiffness and trivalent salt concentration on the conformational behavior of spherical polyelectrolyte brush. The rigid brush adopts bundle-like morphology at a wide range of trivalent salt concentration. The number variation of bundles pinned on the colloid surface shows a non-monotonic profile as a function of the chain stiffness. The radial distributions of monomers and ions and the charge ratio between condensed ions and monomers are calculated. The charge inversion is observed for the high salt concentration regardless of chain rigidity. Furthermore, the pair correlation functions of monomer-monomer and monomer-salt cation are used to elucidate the aggregated mechanism of the bundle-like structure.
文摘Polymerization of propylene was carried out under bulk process at 70 degrees C using the supported metallocene catalyst with four kinds of SiO2 as carrier with triethylaluminum used as cocatalyst. The morphology of the products was studied by SEM. It was found the property of the carriers gave great effect on the fine structure of the products as well as the apperance.
基金the Ministry of Science, Technology and Innovation(MOSTI)Malaysia for sponsoring this study under Grant 03-0 1-02-SF0047
文摘The effect of solid-solution-treatment on the semisolid microstructure of Zn-22Al with developed dendrites was investigated. Forming Zn-22Al products by semisolid metal processing offers significant advantages, such as reductions in macro-segregation, porosity and forming costs. Thermal and rnicrostructural analyses of the formed Zn-22Al alloy were performed by differential scanning calorimetry, scanning electron microscopy and optical microscopy. The changes in the microstructures and phase transformation in response to various solid- solution-treatments were analysed. In this study, as-cast samples were held isothermally at 330 ℃ for 0.5- 5 h and then partially remelted at a semisolid temperature of 438 ℃ for 1 h to produce a solid-globular grain structure in a liquid matrix. A non-dendritic semisolid microstructure could not be obtained when the traditionally cast Zn 22Al alloy with developed dendrites was subjected directly to partial remelting. After solid-solution-treatment at 330 ℃, the black interdendritic eutectics were dissolved, and the dendritic structures gradually transformed into uniform β structures when the treatment time was increased. The coarsened and merged dendrites were separated as a result of penetration by the liquid phase and melting of the residual eutectic at sites along the former grain boundaries. The microstructure of the solid-solution- treated sample transformed into a small globular structure; the best shape factor of 0.9, corresponding to a particle size of 40 ± 16 μm, is achieved when the sample was treated for 3 h followed by direct partial remelting into its semisolid zone.
基金convergence research financial program for instructors,graduate students and professors in 2023.
文摘Characteristics of spherical particles on copper powder and changing sizes were studied in a ball mill under various experimental conditions,such as different ball diameters,high rotation speeds,and milling times,using a discrete element method(DEM)simulation.This experiment has investigated the characteristics of spherical particle morphology evolution involved in the mechanical alloying of copper powder.The morphological evolution of the copper particle was analyzed using scanning electron microscopy(SEM).A spherical copper particle was shown with a roundness value using imageJ software.The DEM was used to simulate the ball motion in a planetary ball mill,and the impact energy and shear energy generated during the collision were analyzed to estimate the contact number between the ball and the ball wall.Therefore,as the size of the ball decreased,the number of ball-to-ball and ball-to-wall contacts increased accordingly,and the spherical shape of the copper powder changed.
