Lead-free inorganic copper-silver-bismuth-halide materials have attracted more and more attention due to their environmental friendliness,high element abundance,and low cost.Here,we developed a strategy of one-step ga...Lead-free inorganic copper-silver-bismuth-halide materials have attracted more and more attention due to their environmental friendliness,high element abundance,and low cost.Here,we developed a strategy of one-step gas-solid-phase diffusioninduced reaction to fabricate a series of bandgap-tunable Cu_(a)Agm_(1)Bim_(2)I_(n)/CuI bilayer films due to the atomic diffusion effect for the first time.By designing and regulating the sputtered Cu/Ag/Bi metal film thickness,the bandgap of Cu_(a)Agm_(1)Bim_(2)I_(n)/CuI could be reduced from 2.06 to 1.78 eV.Solar cells with the structure of FTO/TiO_(2)/Cu_(a)Agm_(1)Bim_(2)I_(n)/CuI/carbon were constructed,yielding a champion power conversion efficiency of 2.76%,which is the highest reported for this class of materials owing to the bandgap reduction and the peculiar bilayer structure.The current work provides a practical path for developing the next generation of efficient,stable,and environmentally friendly photovoltaic materials.展开更多
In this paper,finite element method(FEM)is used to solve two-dimensional diffu-sion-reaction equations of boundary layer type.This kind of equations are usually too complicatedand diffcult to be solved by applying the...In this paper,finite element method(FEM)is used to solve two-dimensional diffu-sion-reaction equations of boundary layer type.This kind of equations are usually too complicatedand diffcult to be solved by applying the traditional methods used in chemical engineering becauseof the steep gradients of concentration and temperature.But,these difficulties are easy to be over-comed when the FEM is used.The integraded steps of solving this kind of problems by the FEMare presented in this paper.By applying the FEM to the two actual examples,the conclusion can bereached that the FEM has the advantages of simplicity and good accuracy.展开更多
Ionic liquids (ILs) with 1,3-disubstituted imidazolium cations and the dimethyl phosphate (DMP) anion, as well as the chloride anion were prepared and characterized by 1H NMR spectra, chromatographic and titrimetric p...Ionic liquids (ILs) with 1,3-disubstituted imidazolium cations and the dimethyl phosphate (DMP) anion, as well as the chloride anion were prepared and characterized by 1H NMR spectra, chromatographic and titrimetric purity control, and determination of the moisture content and thermal stability. ILs with the DMP anion decompose only at temperatures above 240°C. These ILs were tested as both reaction media (solvents) and catalysts for the Knoevenagel condensation reaction. The impact of the most significant structure elements of ILs was evaluated for the rates and yields of the condensation reaction. IL anions have the greatest effect on the condensation reactions, and even the chloride anion has some catalytic effect on the Knoevenagel condensation. Side chains in the imidazolium cations influence the reaction course very little. The ability of the imidazolium cations to form hydrogen bonding with the transition state of the condensation reaction leads to a remarkable slowdown in the reaction rates.展开更多
A finite volume element method is developed for analyzing unsteady scalar reaction-diffusion problems in two dimensions. The method combines the concepts that are employed in the finite volume and the finite element m...A finite volume element method is developed for analyzing unsteady scalar reaction-diffusion problems in two dimensions. The method combines the concepts that are employed in the finite volume and the finite element method together. The finite volume method is used to discretize the unsteady reaction-diffusion equation, while the finite element method is applied to estimate the gradient quantities at cell faces. Robustness and efficiency of the combined method have been evaluated on uniform rectangular grids by using available numerical solutions of the two-dimensional reaction-diffusion problems. The numerical solutions demonstrate that the combined method is stable and can provide accurate solution without spurious oscillation along the high-gradient boundary layers.展开更多
The vapor deposition chemical reaction processes, which are of extremely extensive applications, can be classified as a mathematical model by the following governing nonlinear partial differential equations containing...The vapor deposition chemical reaction processes, which are of extremely extensive applications, can be classified as a mathematical model by the following governing nonlinear partial differential equations containing velocity vector, temperature field, pressure field, and gas mass field. The mixed finite element （MFE） method is employed to study the system of equations for the vapor deposition chemical reaction processes. The semidiscrete and fully discrete MFE formulations are derived. And the existence and convergence （error estimate） of the semidiscrete and fully discrete MFE solutions are demonstrated. By employing MFE method to treat the system of equations for the vapor deposition chemical reaction processes, the numerical solutions of the velocity vector, the temperature field, the pressure field, and the gas mass field can be found out simultaneously. Thus, these researches are not only of important theoretical means, but also of extremely extensive applied vistas.展开更多
This paper is concerned with some nonlinear reaction - diffusion models. To solve this kind of models, the modified Laplace finite element scheme and the alternating direction finite element scheme are established for...This paper is concerned with some nonlinear reaction - diffusion models. To solve this kind of models, the modified Laplace finite element scheme and the alternating direction finite element scheme are established for the system of patrical differential equations. Besides, the finite difference method is utilized for the ordinary differential equation in the models. Moreover, by the theory and technique of prior estimates for the differential equations, the convergence analyses and the optimal L2- norm error estimates are demonstrated.展开更多
A combined approximate scheme is defined for convection-diffusion-reaction equations. This scheme is constructed by two methods. Standard mixed finite element method is used for diffusion term. A second order characte...A combined approximate scheme is defined for convection-diffusion-reaction equations. This scheme is constructed by two methods. Standard mixed finite element method is used for diffusion term. A second order characteristic finite element method is presented to handle the material derivative term, that is, the time derivative term plus the convection term. The stability is proved and the L2-norm error estimates are derived for both the scalar unknown variable and its flux. The scheme is of second order accuracy in time increment, symmetric, and unconditionally stable.展开更多
Synthesis of superheavy elements beyond oganesson is facing new challenges as new target–projectile combinations are necessary. Guidance from models is thus expected for future experiments. However, hindered fusion m...Synthesis of superheavy elements beyond oganesson is facing new challenges as new target–projectile combinations are necessary. Guidance from models is thus expected for future experiments. However, hindered fusion models are not well established and predictions in the fission barriers span few MeVs. Consequently, predictions are not reliable. Strategies to constrain both fusion hindrance and fission barriers are necessary to improve the predictive power of the models. But, there is no hope to get an accuracy better than one order of magnitude in fusion–evaporation reactions leading to superheavy elements synthesis.展开更多
Effects of rare earth element La on the microstructure of Cumatrix diamond tools were researched under the conditions of variousmaterials components and the process parameters in order to improvematerials properties. ...Effects of rare earth element La on the microstructure of Cumatrix diamond tools were researched under the conditions of variousmaterials components and the process parameters in order to improvematerials properties. SEM, XPS and X-ray were used to investigate thefracture section, microstructure and the element valence inmaterials. The Results shown that the combination of rare earthelement La and transition element Ti is advantageous to the bondingstate Between diamond particles and matrix, so it can improve thematerials properties. Suitable sintering temperature is 790 deg. C.展开更多
基金supported by National Natural Science Foundation of China(Grant No.52072327,62074052,61874159)Zhongyuan Thousand Talents(Zhongyuan Scholars)Program of Henan Province(202101510004)+6 种基金Higher Education and Teaching Reformation Project(2014SJGLX064)Academic Degrees&Graduate Education Reform Project of Henan Province(2021SJGLX060Y)Key research and development projects of Universities in Henan Province(20A140026)the Scientific Research Innovation Team of Xuchang University(2022CXTD008)Science and Technology Project of Henan Province(222102230009).L.Ding thanks the National Key Research and Development Program of China(2022YFB3803300)the open research fund of Songshan Lake Materials Laboratory(2021SLABFK02)the National Natural Science Foundation of China(21961160720).
文摘Lead-free inorganic copper-silver-bismuth-halide materials have attracted more and more attention due to their environmental friendliness,high element abundance,and low cost.Here,we developed a strategy of one-step gas-solid-phase diffusioninduced reaction to fabricate a series of bandgap-tunable Cu_(a)Agm_(1)Bim_(2)I_(n)/CuI bilayer films due to the atomic diffusion effect for the first time.By designing and regulating the sputtered Cu/Ag/Bi metal film thickness,the bandgap of Cu_(a)Agm_(1)Bim_(2)I_(n)/CuI could be reduced from 2.06 to 1.78 eV.Solar cells with the structure of FTO/TiO_(2)/Cu_(a)Agm_(1)Bim_(2)I_(n)/CuI/carbon were constructed,yielding a champion power conversion efficiency of 2.76%,which is the highest reported for this class of materials owing to the bandgap reduction and the peculiar bilayer structure.The current work provides a practical path for developing the next generation of efficient,stable,and environmentally friendly photovoltaic materials.
基金Project financially supported by scientific research foundation coferring to Ph.D.
文摘In this paper,finite element method(FEM)is used to solve two-dimensional diffu-sion-reaction equations of boundary layer type.This kind of equations are usually too complicatedand diffcult to be solved by applying the traditional methods used in chemical engineering becauseof the steep gradients of concentration and temperature.But,these difficulties are easy to be over-comed when the FEM is used.The integraded steps of solving this kind of problems by the FEMare presented in this paper.By applying the FEM to the two actual examples,the conclusion can bereached that the FEM has the advantages of simplicity and good accuracy.
文摘Ionic liquids (ILs) with 1,3-disubstituted imidazolium cations and the dimethyl phosphate (DMP) anion, as well as the chloride anion were prepared and characterized by 1H NMR spectra, chromatographic and titrimetric purity control, and determination of the moisture content and thermal stability. ILs with the DMP anion decompose only at temperatures above 240°C. These ILs were tested as both reaction media (solvents) and catalysts for the Knoevenagel condensation reaction. The impact of the most significant structure elements of ILs was evaluated for the rates and yields of the condensation reaction. IL anions have the greatest effect on the condensation reactions, and even the chloride anion has some catalytic effect on the Knoevenagel condensation. Side chains in the imidazolium cations influence the reaction course very little. The ability of the imidazolium cations to form hydrogen bonding with the transition state of the condensation reaction leads to a remarkable slowdown in the reaction rates.
文摘A finite volume element method is developed for analyzing unsteady scalar reaction-diffusion problems in two dimensions. The method combines the concepts that are employed in the finite volume and the finite element method together. The finite volume method is used to discretize the unsteady reaction-diffusion equation, while the finite element method is applied to estimate the gradient quantities at cell faces. Robustness and efficiency of the combined method have been evaluated on uniform rectangular grids by using available numerical solutions of the two-dimensional reaction-diffusion problems. The numerical solutions demonstrate that the combined method is stable and can provide accurate solution without spurious oscillation along the high-gradient boundary layers.
基金Project supported by the National Natural Science Foundation of China (Nos.10471100 and 40437017)the Science and Technology Foundation of Beijing Jiaotong University
文摘The vapor deposition chemical reaction processes, which are of extremely extensive applications, can be classified as a mathematical model by the following governing nonlinear partial differential equations containing velocity vector, temperature field, pressure field, and gas mass field. The mixed finite element （MFE） method is employed to study the system of equations for the vapor deposition chemical reaction processes. The semidiscrete and fully discrete MFE formulations are derived. And the existence and convergence （error estimate） of the semidiscrete and fully discrete MFE solutions are demonstrated. By employing MFE method to treat the system of equations for the vapor deposition chemical reaction processes, the numerical solutions of the velocity vector, the temperature field, the pressure field, and the gas mass field can be found out simultaneously. Thus, these researches are not only of important theoretical means, but also of extremely extensive applied vistas.
文摘This paper is concerned with some nonlinear reaction - diffusion models. To solve this kind of models, the modified Laplace finite element scheme and the alternating direction finite element scheme are established for the system of patrical differential equations. Besides, the finite difference method is utilized for the ordinary differential equation in the models. Moreover, by the theory and technique of prior estimates for the differential equations, the convergence analyses and the optimal L2- norm error estimates are demonstrated.
文摘A combined approximate scheme is defined for convection-diffusion-reaction equations. This scheme is constructed by two methods. Standard mixed finite element method is used for diffusion term. A second order characteristic finite element method is presented to handle the material derivative term, that is, the time derivative term plus the convection term. The stability is proved and the L2-norm error estimates are derived for both the scalar unknown variable and its flux. The scheme is of second order accuracy in time increment, symmetric, and unconditionally stable.
基金supported in part by the NSF of China(Nos.11747312,U1732138,11790325,11790323)the Joint International Laboratory between France and Japan(LIA FJNSP)
文摘Synthesis of superheavy elements beyond oganesson is facing new challenges as new target–projectile combinations are necessary. Guidance from models is thus expected for future experiments. However, hindered fusion models are not well established and predictions in the fission barriers span few MeVs. Consequently, predictions are not reliable. Strategies to constrain both fusion hindrance and fission barriers are necessary to improve the predictive power of the models. But, there is no hope to get an accuracy better than one order of magnitude in fusion–evaporation reactions leading to superheavy elements synthesis.
文摘Effects of rare earth element La on the microstructure of Cumatrix diamond tools were researched under the conditions of variousmaterials components and the process parameters in order to improvematerials properties. SEM, XPS and X-ray were used to investigate thefracture section, microstructure and the element valence inmaterials. The Results shown that the combination of rare earthelement La and transition element Ti is advantageous to the bondingstate Between diamond particles and matrix, so it can improve thematerials properties. Suitable sintering temperature is 790 deg. C.
