Hydrogen is the new age alternative energy source to combat energy demand and climate change.Storage of hydrogen is vital for a nation’s growth.Works of literature provide different methods for storing the produced h...Hydrogen is the new age alternative energy source to combat energy demand and climate change.Storage of hydrogen is vital for a nation’s growth.Works of literature provide different methods for storing the produced hydrogen,and the rational selection of a viable method is crucial for promoting sustainability and green practices.Typically,hydrogen storage is associated with diverse sustainable and circular economy(SCE)criteria.As a result,the authors consider the situation a multi-criteria decision-making(MCDM)problem.Studies infer that previous models for hydrogen storage method(HSM)selection(i)do not consider preferences in the natural language form;(ii)weights of experts are not methodically determined;(iii)hesitation of experts during criteria weight assessment is not effectively explored;and(iv)three-stage solution of a suitable selection of HSM is unexplored.Driven by these gaps,in this paper,authors put forward a new integrated framework,which considers double hierarchy linguistic information for rating,criteria importance through inter-criteria correlation(CRITIC)for expert weight calculation,evidence-based Bayesian method for criteria weight estimation,and combined compromise solution(CoCoSo)for ranking HSMs.The applicability of the developed framework is testified by using a case example of HSM selection in India.Sensitivity and comparative analysis reveal the merits and limitations of the developed framework.展开更多
The outcomes of computational study of electronic, magnetic and optical spectra for A2BX6 (A = Rb;B = Tc, Pb, Pt, Sn, W, Ir, Ta, Sb, Te, Se, Mo, Mn, Ti, Zr and X = Cl, Br) materials have been proceeded utilizing Vande...The outcomes of computational study of electronic, magnetic and optical spectra for A2BX6 (A = Rb;B = Tc, Pb, Pt, Sn, W, Ir, Ta, Sb, Te, Se, Mo, Mn, Ti, Zr and X = Cl, Br) materials have been proceeded utilizing Vanderbilt Ultra Soft Pseudo Potential (US-PP) process. The Rb2PbBr6 and Rb2PbCl6 are found to be a (Г-Г) semiconductors with energy gaps of 0.275 and 1.142 eV, respectively making them promising photovoltaic materials. The metallic behavior of the materials for Rb2BX6 (B = Tc, W, Ir, Ta, Mn, Sb, Mo) has been confirmed showing the attendance of conducting lineaments. The dielectric function is found to be large close to the ultraviolet districts (3.10 - 4.13 eV). The extinction coefficient of the Rb2BX6 has the ability to be used for implements. The band structures and density of states ensure the magnetic semiconductors’ nature of the Rb2Mn (Cl, Br)6 perovskites. The total calculated magnetic moment of Rb2MnCl6 and Rb2MnB6 is 3.00μβ. Advanced spintronic technology requires room-temperature ferromagnetism. The present work confirms that, bromine and chlorine-founded double perovskites are extremely attractive for photovoltaic and optoelectronic devices.展开更多
We study the ferroelectricity in a one-dimensional(1D)system composed of a double helix SnIP with absorbing water molecules.Our ab initio calculations reveal two factors that are critical to the electrical polarizatio...We study the ferroelectricity in a one-dimensional(1D)system composed of a double helix SnIP with absorbing water molecules.Our ab initio calculations reveal two factors that are critical to the electrical polarization.The first one is the orientation of polarized water molecules staying in the R2 region of SnIP.The second one is the displacement of I atom which roots from subtle interaction with absorbed water molecules.A reasonable scenario of polarization flipping is proposed in this study.In the scenario,the water molecule is rolling-up with keeping the magnitude of its electrical dipole and changing its direction,meanwhile,the displacement of I atoms is also reversed.Highly tunable polarization can be achieved by applying strain,with 26.5%of polarization enhancement by applying tensile strain,with only 4%degradation is observed with 4%compressive strain.Finally,the direct band gap is also found to be correlated with strain.展开更多
With the development of Big Data and the Internet of Things(IoT),the data value is more significant in both academia and industry.Trading can achieve maximal data value and prepare data for smart city services.Due to ...With the development of Big Data and the Internet of Things(IoT),the data value is more significant in both academia and industry.Trading can achieve maximal data value and prepare data for smart city services.Due to data's unique characteristics,such as dispersion,heterogeneity and distributed storage,an unbiased platform is necessary for the data trading market with rational trading entities.Meanwhile,there are multiple buyers and sellers in a practical data trading market,and this makes it challenging to maximize social welfare.To solve these problems,this paper proposes a Social-Welfare-Oriented Many-to-Many Trading Mechanism(SOMTM),which integrates three entities,a trading process and an algorithm named Many-to-Many Trading Algorithm(MMTA).Based on the market scale,market dominated-side and market fixed-side,simulations verify the convergency,economic properties and efficiency of SOMTM.展开更多
In order to understand the electric interfacial behavior, mean field based electric double layer (EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the developme...In order to understand the electric interfacial behavior, mean field based electric double layer (EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the development of the EDL model, from the dimensionless Gouy-Chapman model to the symmetric Bikerman-Freise model, and finally toward size-asymmetric mean field theory models. We provide the general derivations within the framework of Helmholtz free energy of the lattice- gas model, and it can be seen that the above-mentioned models are consistent in the sense that the interconversi0n among them can be achieved by reducing the basic assumptions.展开更多
Bimetallic compounds such as hydrotalcite-type layered double hydroxides(LDHs)are promising electrocatalysts owing to their unique electronic structures.However,their abilities toward nitrogen adsorption and reduction...Bimetallic compounds such as hydrotalcite-type layered double hydroxides(LDHs)are promising electrocatalysts owing to their unique electronic structures.However,their abilities toward nitrogen adsorption and reduction are undermined since the surface-mantled,electronegative-OH groups hinder the charge transfer between transition metal atoms and nitrogen molecules.Herein,a smart interfacing strategy is proposed to construct a coupled heterointerface between LDH and 2D g-C_(3)N_(4),which is proven by density functional theory(DFT)investigations to be favorable for nitrogen adsorption and ammonia desorption compared with neat LDH surface.The interfaced LDH and g-C_(3)N_(4) is further hybridized with a self-standing TiO_(2) nanofibrous membrane(NM)to maximize the interfacial effect owing to its high porosity and large surface area.Profited from the synergistic superiorities of the three components,the LDH@C_(3)N_(4)@TiO_(2) NM delivers superior ammonia yield(2.07×10^(−9) mol s^(−1) cm^(−2))and Faradaic efficiency(25.3%),making it a high-efficiency,noble-metal-free catalyst system toward electrocatalytic nitrogen reduction.展开更多
Layered double hydroxides(LDHs) have attracted considerable attention as a cost effective alternative to the precious iridium-and ruthenium-based electrocatalysts for an oxygen evolution reaction(OER),a bottleneck of ...Layered double hydroxides(LDHs) have attracted considerable attention as a cost effective alternative to the precious iridium-and ruthenium-based electrocatalysts for an oxygen evolution reaction(OER),a bottleneck of water electrolysis for sustainable hydrogen production.Despite their excellent OER performance,the structural and electronic properties of LDHs,particularly during the OER process,remain to be poorly understood.In this study,a series of LDH catalysts is investigated through in situ X-ray absorption fine structure analyses and density functional theory(DFT) calculations.Our experimental results reveal that the LDH catalyst with equal amounts of Ni and Fe(NF-LDH) exhibits the highest OER activity and catalytic life span when compared with its counterparts having equal amounts of Ni and Co(NC-LDH)and Ni only(Ni-LDH).The NF-LDH shows a markedly enhanced OER kinetics compared to the NC-LDH and the Ni-LDH,as proven by the lower overpotentials of 180,240,and 310 mV,respectively,and the Tafel slopes of 35.1,43.4,and 62.7 mV dec^(-1),respectively.The DFT calculations demonstrate that the lowest overpotential of the NF-LDH is associated with the active sites located at the edge planes of NF-LDH in contrast to those located at the basal planes of Ni-LDH and NC-LDH.The current study pinpoints the active sites on various LDHs and presents strategies for optimizing the OER performance of the LDH catalysts.展开更多
Inorganic halide double perovskites A_(2)B'B"X_(6) have gained significant interests for their diverse composition,stable physicochemical properties,and potential for photoelectric applications.The influences...Inorganic halide double perovskites A_(2)B'B"X_(6) have gained significant interests for their diverse composition,stable physicochemical properties,and potential for photoelectric applications.The influences of trivalent and monovalent cations on the formation energy,decomposition energy,electronic structure and optical properties of cesium-based lead-free Cs^(+)_(2)B'B"Br_(6) (B'=Na^(+),In^(+)Cu^(+),or Ag^(+);B"=Bi^(3),Sb^(3+),In^(3+)) are systematically studied.In view of the analysis and results of the selected double perovskites,for the double perovskites with different B-site trivalent cation,the band gap increases in the order of Cs_(2)AgInBr_(6),Cs_(2)AgSbBr_(6) and Cs_(2)AgBiBr_(6),with Cs_(2)AgBiBr_(6) possessing the highest thermodynamic stability.Therefore,the Bi-based perovskites are further studied to elucidate the effect of monovalent cation on their stability and electronics.Results show that the thermodynamic stability rises in the sequence of Cs_(2)NaBiBr_(6),Cs_(2)InBiBr_(6),Cs_(2)AgBiBr_(6) and Cs_(2)CuBiBr_(6).Notably,Cs_(2)CuBiBr_(6) exhibits a relatively narrow and appropriate band gap of 1.4634 eV,together with the highest absorption coefficient than other compounds,suggesting that Cs_(2)CuBiBr_(6) is a promising light absorbing material that can be further explored experimentally and be applied to optoelectronic devices.Our research offers theoretical backing for the potential optoelectronic application of cesium-based lead-free halide double perovskites in solar energy conversion.展开更多
We propose to study the accelerating expansion of the universe in the double complex symmetric gravitational theory (DCSGT). The universe we live in is taken as the real part of the whole spacetime MC^4(J), which ...We propose to study the accelerating expansion of the universe in the double complex symmetric gravitational theory (DCSGT). The universe we live in is taken as the real part of the whole spacetime MC^4(J), which is double complex. By introducing the spatially flat FRW metric, not only the double Friedmann equations but also the two constraint conditions py = 0 and J^2 = 1 are obtained. Farthermore, using parametric DL(z) ansatz, we reconstruct the ω/(z) and V(Ф) for dark energy from real observational data. We find that in the two cases of J = i, pJ = 0, and J = ε, pJ≠0, the corresponding equations of state ω'(z) remain close to -1 at present (z = 0) and change from below -1 to above -1. The results illustrate that the whole spacetime, i.e. the double complex spacetime MC^4(J), may be either ordinary complex (J = i, pJ = 0) or hyperbolic complex (J = ε, pJ≠ 0). And the fate of the universe would be Big Rip in the future.展开更多
As a core compulsory course for English majors majoring in teacher education,Literary Theory and Criticism plays an important role in enhancing text understanding,cultivating critical thinking,and shaping correct valu...As a core compulsory course for English majors majoring in teacher education,Literary Theory and Criticism plays an important role in enhancing text understanding,cultivating critical thinking,and shaping correct values in the future development of students.Influenced by traditional teaching ideas,students have many difficulties when learning this course,such as insufficient theoretical understanding,inadequate ability improvement,and not enough investment in course learning.In response to the above issues,this course focuses closely on the fundamental task of“cultivating virtue and nurturing people”,relying on modern information technology and introducing research methods of digital humanities.This course uses“7C”teaching mode under the“three-level integration”,in which“teaching”and“education”are carried out synchronously,and“teacher”and“student”are developed together,in order to greatly enhance students’learning participation and course satisfaction.展开更多
A general method for designing ternary circuits using double pass-transistor logic is investigated. The logical relation of each MOS transistor is formulated by using the transmission operation in order to make effect...A general method for designing ternary circuits using double pass-transistor logic is investigated. The logical relation of each MOS transistor is formulated by using the transmission operation in order to make effective and practical use of the circuits. A way to generate ternary complementary and dual circuits by applying the complementarity and duality principles is presented. This new static ternary double pass-transistor logic scheme has some favorable properties:the use of standard CMOS process without any modification of the thresholds, a perfectly symmetrical structure,a full logic swing, the maximum possible noise margins, a less complex structure, and no static power consumption. HSPICE simulations using TSMC 0.25μm CMOS technology and a 3V power supply demonstrate the effectiveness of the proposed design.展开更多
Mobile offshore double-causeway pier system, a type of seashore unloading equipment, consists of two groups of multiple connected semi-submersible modules. This structure has wide application because most of the middl...Mobile offshore double-causeway pier system, a type of seashore unloading equipment, consists of two groups of multiple connected semi-submersible modules. This structure has wide application because most of the middle or mini type of vessels and ships can be moored to it. Based on the analysis of computational methods of multi-body motion response, a hydrodynamic model is set up and the three-dimensional potential theory in finite depth is adopted to calculate the three-dimensional motion response of this system. The double P-M spectrum is used to analyze the motion response in irregular waves. Different wave directions are specially taken into consideration, due to their various effects to the motion response. Furthermore, the calculated result is compared with that of the experiment, and it is proved that sway, heave, pitch and yaw motion are greatly constrained by mooring system. The comparison also indicates that the model can forecast the motion performance of the target, and that the calculated result can also be used as reference in connector and mooring system design.展开更多
Nonsequential double ionization (NSDI) processes of nonaligned diatomic molecules N2 and O2 are studied using the S-matrix theory. Our results show that the NSDI process significantly depends on the molecular symmet...Nonsequential double ionization (NSDI) processes of nonaligned diatomic molecules N2 and O2 are studied using the S-matrix theory. Our results show that the NSDI process significantly depends on the molecular symmetry and structure. The ratio of NSDI rate to single ionization rate as a function of the field intensity is obtained. It is found that N2 behaves closely with its companion atom Ar in the ratios over the entire intensity range, while O2 exhibits an obvious suppression effect, which is qualitatively consistent with the experiment.展开更多
Possessing the unique and highly valuable properties, graphene sheets(GSs) have attracted increasing attention including that from the building engineer due to the fact that Graphene can be utilized to reinforce concr...Possessing the unique and highly valuable properties, graphene sheets(GSs) have attracted increasing attention including that from the building engineer due to the fact that Graphene can be utilized to reinforce concrete and other building materials. In this work, the nonlocal elastic theory and classical plate theory(CLPT) are used to derive the governing equations. The element-free framework for analyzing the buckling behaviors of double layer circular graphene sheets(DLCGSs) relying on an elastic medium is proposed. Pasternak-type model is adopted to describe the elastic medium. Accordingly, the influences of boundary conditions, size of GSs and nonlocal parameters on the buckling behavior of DLCGSs are investigated. The results show that the OP buckling modes are only sensible to the van der Waals forces.展开更多
By using the iterative method in functional theory, an analytic expression of the Poisson-Boltzmann equation (PB eq.), which describes the distribution of the potential of electrical double layer of a spherical micell...By using the iterative method in functional theory, an analytic expression of the Poisson-Boltzmann equation (PB eq.), which describes the distribution of the potential of electrical double layer of a spherical micelle, has been carried out under the general potential condition for the first time. The method also can give the radius, the surface potential, and the thickness of the layer.展开更多
In this paper, external bifurcations of heterodimensional cycles connecting three saddle points with one orbit flip, in the shape of “∞”, are studied in three-dimensional vector field. We construct a poincaré ...In this paper, external bifurcations of heterodimensional cycles connecting three saddle points with one orbit flip, in the shape of “∞”, are studied in three-dimensional vector field. We construct a poincaré return map between returning points in a transverse section by establishing a locally active coordinate system in the tubular neighborhood of unperturbed double heterodimensional cycles, through which the bifurcation equations are obtained under different conditions. Near the double heterodimensional cycles, the authors prove the preservation of “∞”-shape double heterodimensional cycles and the existence of the second and third shape heterodimensional cycle and a large 1-heteroclinic cycle connecting with <em>P</em><sub>1</sub> and <em>P</em><sub>3</sub>. The coexistence of a 1-fold large 1-heteroclinic cycle and the “∞”-shape double heterodimensional cycles and the coexistence conditions are also given in the parameter space.展开更多
In this study, as the domain of four dimensional Euler mean E(r,s) of orders r,sin the space L_p for 0 < p < 1, we examine the double sequence space ε_p^(r,s) and some properties of four dimensional Euler mean....In this study, as the domain of four dimensional Euler mean E(r,s) of orders r,sin the space L_p for 0 < p < 1, we examine the double sequence space ε_p^(r,s) and some properties of four dimensional Euler mean. We determine the α-and β(bp)-duals of the space εp r,s, and characterize the classes(ε_p^(r,s):M_u),(ε_p^(r,s):C_(bp)) and(ε_p^(r,s):L_q) of four dimensional matrix transformations, where 1 ≤q < ∞. Finally, we shortly emphasize on the Euler spaces of single and double sequences, and note some further suggestions.展开更多
In this paper, period-doubling bifurcation in a two-stage power factor correction converter is analyzed by using the method of incremental harmonic balance (IHB) and Floquet theory. A two-stage power factor correcti...In this paper, period-doubling bifurcation in a two-stage power factor correction converter is analyzed by using the method of incremental harmonic balance (IHB) and Floquet theory. A two-stage power factor correction converter typically employs a cascade configuration of a pre-regulator boost power factor correction converter with average current mode control to achieve a near unity power factor and a tightly regulated post-regulator DC-DC Buck converter with voltage feedback control to regulate the output voltage. Based on the assumption that the tightly regulated postregulator DC-DC Buck converter is represented as a constant power sink and some other assumptions, the simplified model of the two-stage power factor correction converter is derived and its approximate periodic solution is calculated by the method of IHB. And then, the stability of the system is investigated by using Floquet theory and the stable boundaries are presented on the selected parameter spaces. Finally, some experimental results are given to confirm the effectiveness of the theoretical analysis.展开更多
The geometries of reactant, product and transition state of the title reaction have been optimized by using density functional theory (DFT) at the B3LYP/6-31G(d,p) and B3LYP/6- 311++G(d,p) levels. The variations of th...The geometries of reactant, product and transition state of the title reaction have been optimized by using density functional theory (DFT) at the B3LYP/6-31G(d,p) and B3LYP/6- 311++G(d,p) levels. The variations of the bond parameters in the course of reaction were analyzed. The zero point energy corrections were performed by vibrational analysis. The equilibrium states and the transition state were verified according to the number of virtue frequency of geometry. The intrinsic reaction coordinates (IRC) were calculated from the transition state. The calculated results show that the double bond rearrangement of butene catalyzed by 1-butyl-3-methyl-imidazolium cation is a one-step reaction. The forward energy barrier of isomerization from 1-butene to 2- butene is about 193 kJ·mol-1 and the reverse energy barrier about 209 kJ·mol-1 at the B3LYP/6- 31G(d,p) level, which means that the reaction is easy to proceed at or above room temperature.展开更多
In strong-field double ionization,two electrons are ionized by intense laser field.These two electrons move in the laser field and the state is described by a Coulomb-Volkov state,where the repulsive Coulomb state des...In strong-field double ionization,two electrons are ionized by intense laser field.These two electrons move in the laser field and the state is described by a Coulomb-Volkov state,where the repulsive Coulomb state describes the relative motion of the two electrons and the Volkov state describes the center-of-mass motion of the two electrons in the laser field.In the frame of scattering theory,we derive a simple analytical formula of the double ionization of He-like atoms.The effect of the Coulomb force between two electrons on the double ionization process is discussed.Numerical studies disclose that the Coulomb force enhances the ionization rate of high-energy electrons but suppresses the ionization rate of the lowest-energy electrons.展开更多
文摘Hydrogen is the new age alternative energy source to combat energy demand and climate change.Storage of hydrogen is vital for a nation’s growth.Works of literature provide different methods for storing the produced hydrogen,and the rational selection of a viable method is crucial for promoting sustainability and green practices.Typically,hydrogen storage is associated with diverse sustainable and circular economy(SCE)criteria.As a result,the authors consider the situation a multi-criteria decision-making(MCDM)problem.Studies infer that previous models for hydrogen storage method(HSM)selection(i)do not consider preferences in the natural language form;(ii)weights of experts are not methodically determined;(iii)hesitation of experts during criteria weight assessment is not effectively explored;and(iv)three-stage solution of a suitable selection of HSM is unexplored.Driven by these gaps,in this paper,authors put forward a new integrated framework,which considers double hierarchy linguistic information for rating,criteria importance through inter-criteria correlation(CRITIC)for expert weight calculation,evidence-based Bayesian method for criteria weight estimation,and combined compromise solution(CoCoSo)for ranking HSMs.The applicability of the developed framework is testified by using a case example of HSM selection in India.Sensitivity and comparative analysis reveal the merits and limitations of the developed framework.
文摘The outcomes of computational study of electronic, magnetic and optical spectra for A2BX6 (A = Rb;B = Tc, Pb, Pt, Sn, W, Ir, Ta, Sb, Te, Se, Mo, Mn, Ti, Zr and X = Cl, Br) materials have been proceeded utilizing Vanderbilt Ultra Soft Pseudo Potential (US-PP) process. The Rb2PbBr6 and Rb2PbCl6 are found to be a (Г-Г) semiconductors with energy gaps of 0.275 and 1.142 eV, respectively making them promising photovoltaic materials. The metallic behavior of the materials for Rb2BX6 (B = Tc, W, Ir, Ta, Mn, Sb, Mo) has been confirmed showing the attendance of conducting lineaments. The dielectric function is found to be large close to the ultraviolet districts (3.10 - 4.13 eV). The extinction coefficient of the Rb2BX6 has the ability to be used for implements. The band structures and density of states ensure the magnetic semiconductors’ nature of the Rb2Mn (Cl, Br)6 perovskites. The total calculated magnetic moment of Rb2MnCl6 and Rb2MnB6 is 3.00μβ. Advanced spintronic technology requires room-temperature ferromagnetism. The present work confirms that, bromine and chlorine-founded double perovskites are extremely attractive for photovoltaic and optoelectronic devices.
基金the Natural Science Foundation of Jiangsu Province,China(Grant No.BK20210198)the National Natural Science Foundation of China(Grant No.12204095)+1 种基金the Fundamental Research Funds for the Central Universities(Grant No.2242022R10197)the National Natural Science Foundation of China(Grant No.11834002).
文摘We study the ferroelectricity in a one-dimensional(1D)system composed of a double helix SnIP with absorbing water molecules.Our ab initio calculations reveal two factors that are critical to the electrical polarization.The first one is the orientation of polarized water molecules staying in the R2 region of SnIP.The second one is the displacement of I atom which roots from subtle interaction with absorbed water molecules.A reasonable scenario of polarization flipping is proposed in this study.In the scenario,the water molecule is rolling-up with keeping the magnitude of its electrical dipole and changing its direction,meanwhile,the displacement of I atoms is also reversed.Highly tunable polarization can be achieved by applying strain,with 26.5%of polarization enhancement by applying tensile strain,with only 4%degradation is observed with 4%compressive strain.Finally,the direct band gap is also found to be correlated with strain.
文摘With the development of Big Data and the Internet of Things(IoT),the data value is more significant in both academia and industry.Trading can achieve maximal data value and prepare data for smart city services.Due to data's unique characteristics,such as dispersion,heterogeneity and distributed storage,an unbiased platform is necessary for the data trading market with rational trading entities.Meanwhile,there are multiple buyers and sellers in a practical data trading market,and this makes it challenging to maximize social welfare.To solve these problems,this paper proposes a Social-Welfare-Oriented Many-to-Many Trading Mechanism(SOMTM),which integrates three entities,a trading process and an algorithm named Many-to-Many Trading Algorithm(MMTA).Based on the market scale,market dominated-side and market fixed-side,simulations verify the convergency,economic properties and efficiency of SOMTM.
基金supported by the National Natural Science Foundation of China(Grant Nos.21421001,21373118,and 21203100)the Natural Science Foundation of Tianjin,China(Grant No.13JCQNJC06700)+1 种基金the MOE Innovation Team of China(Grant No.IRT13022)NFFTBS(Grant No.J1103306)
文摘In order to understand the electric interfacial behavior, mean field based electric double layer (EDL) theory has been continuously developed over the past 150 years. In this article, we briefly review the development of the EDL model, from the dimensionless Gouy-Chapman model to the symmetric Bikerman-Freise model, and finally toward size-asymmetric mean field theory models. We provide the general derivations within the framework of Helmholtz free energy of the lattice- gas model, and it can be seen that the above-mentioned models are consistent in the sense that the interconversi0n among them can be achieved by reducing the basic assumptions.
基金financially supported by the National Natural Science Foundation of China(No.52173055 and 21961132024)the Natural Science Foundation of Shanghai(No.19ZR1401100)+3 种基金the International Cooperation Fund of Science and Technology Commission of Shanghai Municipality(No.21130750100)the Innovation Program of Shanghai Municipal Education Commission(No.2017-01-07-00-03-E00024)the Fundamental Research Funds for the Central Universities(No.18D310109)the DHU Distinguished Young Professor Program(No.LZA2020001).
文摘Bimetallic compounds such as hydrotalcite-type layered double hydroxides(LDHs)are promising electrocatalysts owing to their unique electronic structures.However,their abilities toward nitrogen adsorption and reduction are undermined since the surface-mantled,electronegative-OH groups hinder the charge transfer between transition metal atoms and nitrogen molecules.Herein,a smart interfacing strategy is proposed to construct a coupled heterointerface between LDH and 2D g-C_(3)N_(4),which is proven by density functional theory(DFT)investigations to be favorable for nitrogen adsorption and ammonia desorption compared with neat LDH surface.The interfaced LDH and g-C_(3)N_(4) is further hybridized with a self-standing TiO_(2) nanofibrous membrane(NM)to maximize the interfacial effect owing to its high porosity and large surface area.Profited from the synergistic superiorities of the three components,the LDH@C_(3)N_(4)@TiO_(2) NM delivers superior ammonia yield(2.07×10^(−9) mol s^(−1) cm^(−2))and Faradaic efficiency(25.3%),making it a high-efficiency,noble-metal-free catalyst system toward electrocatalytic nitrogen reduction.
基金supported by the National Research Foundation of Korea (NRF-2022R1C1C1004171)supported by the National Science Foundation (Grant number ACI1548562)。
文摘Layered double hydroxides(LDHs) have attracted considerable attention as a cost effective alternative to the precious iridium-and ruthenium-based electrocatalysts for an oxygen evolution reaction(OER),a bottleneck of water electrolysis for sustainable hydrogen production.Despite their excellent OER performance,the structural and electronic properties of LDHs,particularly during the OER process,remain to be poorly understood.In this study,a series of LDH catalysts is investigated through in situ X-ray absorption fine structure analyses and density functional theory(DFT) calculations.Our experimental results reveal that the LDH catalyst with equal amounts of Ni and Fe(NF-LDH) exhibits the highest OER activity and catalytic life span when compared with its counterparts having equal amounts of Ni and Co(NC-LDH)and Ni only(Ni-LDH).The NF-LDH shows a markedly enhanced OER kinetics compared to the NC-LDH and the Ni-LDH,as proven by the lower overpotentials of 180,240,and 310 mV,respectively,and the Tafel slopes of 35.1,43.4,and 62.7 mV dec^(-1),respectively.The DFT calculations demonstrate that the lowest overpotential of the NF-LDH is associated with the active sites located at the edge planes of NF-LDH in contrast to those located at the basal planes of Ni-LDH and NC-LDH.The current study pinpoints the active sites on various LDHs and presents strategies for optimizing the OER performance of the LDH catalysts.
基金Funded by the National Natural Science Foundation of China (No.51772228)the Open Fund of Sanya Science and Education Innovation Park (No.2022KF0008)。
文摘Inorganic halide double perovskites A_(2)B'B"X_(6) have gained significant interests for their diverse composition,stable physicochemical properties,and potential for photoelectric applications.The influences of trivalent and monovalent cations on the formation energy,decomposition energy,electronic structure and optical properties of cesium-based lead-free Cs^(+)_(2)B'B"Br_(6) (B'=Na^(+),In^(+)Cu^(+),or Ag^(+);B"=Bi^(3),Sb^(3+),In^(3+)) are systematically studied.In view of the analysis and results of the selected double perovskites,for the double perovskites with different B-site trivalent cation,the band gap increases in the order of Cs_(2)AgInBr_(6),Cs_(2)AgSbBr_(6) and Cs_(2)AgBiBr_(6),with Cs_(2)AgBiBr_(6) possessing the highest thermodynamic stability.Therefore,the Bi-based perovskites are further studied to elucidate the effect of monovalent cation on their stability and electronics.Results show that the thermodynamic stability rises in the sequence of Cs_(2)NaBiBr_(6),Cs_(2)InBiBr_(6),Cs_(2)AgBiBr_(6) and Cs_(2)CuBiBr_(6).Notably,Cs_(2)CuBiBr_(6) exhibits a relatively narrow and appropriate band gap of 1.4634 eV,together with the highest absorption coefficient than other compounds,suggesting that Cs_(2)CuBiBr_(6) is a promising light absorbing material that can be further explored experimentally and be applied to optoelectronic devices.Our research offers theoretical backing for the potential optoelectronic application of cesium-based lead-free halide double perovskites in solar energy conversion.
基金The project supported by National Natural Science Foundation of China under Grant No. 10573004
文摘We propose to study the accelerating expansion of the universe in the double complex symmetric gravitational theory (DCSGT). The universe we live in is taken as the real part of the whole spacetime MC^4(J), which is double complex. By introducing the spatially flat FRW metric, not only the double Friedmann equations but also the two constraint conditions py = 0 and J^2 = 1 are obtained. Farthermore, using parametric DL(z) ansatz, we reconstruct the ω/(z) and V(Ф) for dark energy from real observational data. We find that in the two cases of J = i, pJ = 0, and J = ε, pJ≠0, the corresponding equations of state ω'(z) remain close to -1 at present (z = 0) and change from below -1 to above -1. The results illustrate that the whole spacetime, i.e. the double complex spacetime MC^4(J), may be either ordinary complex (J = i, pJ = 0) or hyperbolic complex (J = ε, pJ≠ 0). And the fate of the universe would be Big Rip in the future.
基金supported by Henan Province Teaching Reform and Practice Project(Project Fund No.135)—Research on the Reform of Literary Theory Courses for English Majors in Universities.
文摘As a core compulsory course for English majors majoring in teacher education,Literary Theory and Criticism plays an important role in enhancing text understanding,cultivating critical thinking,and shaping correct values in the future development of students.Influenced by traditional teaching ideas,students have many difficulties when learning this course,such as insufficient theoretical understanding,inadequate ability improvement,and not enough investment in course learning.In response to the above issues,this course focuses closely on the fundamental task of“cultivating virtue and nurturing people”,relying on modern information technology and introducing research methods of digital humanities.This course uses“7C”teaching mode under the“three-level integration”,in which“teaching”and“education”are carried out synchronously,and“teacher”and“student”are developed together,in order to greatly enhance students’learning participation and course satisfaction.
文摘A general method for designing ternary circuits using double pass-transistor logic is investigated. The logical relation of each MOS transistor is formulated by using the transmission operation in order to make effective and practical use of the circuits. A way to generate ternary complementary and dual circuits by applying the complementarity and duality principles is presented. This new static ternary double pass-transistor logic scheme has some favorable properties:the use of standard CMOS process without any modification of the thresholds, a perfectly symmetrical structure,a full logic swing, the maximum possible noise margins, a less complex structure, and no static power consumption. HSPICE simulations using TSMC 0.25μm CMOS technology and a 3V power supply demonstrate the effectiveness of the proposed design.
基金This studyis supported bythe National Natural Science Foundation of China(Grant No.50570047)
文摘Mobile offshore double-causeway pier system, a type of seashore unloading equipment, consists of two groups of multiple connected semi-submersible modules. This structure has wide application because most of the middle or mini type of vessels and ships can be moored to it. Based on the analysis of computational methods of multi-body motion response, a hydrodynamic model is set up and the three-dimensional potential theory in finite depth is adopted to calculate the three-dimensional motion response of this system. The double P-M spectrum is used to analyze the motion response in irregular waves. Different wave directions are specially taken into consideration, due to their various effects to the motion response. Furthermore, the calculated result is compared with that of the experiment, and it is proved that sway, heave, pitch and yaw motion are greatly constrained by mooring system. The comparison also indicates that the model can forecast the motion performance of the target, and that the calculated result can also be used as reference in connector and mooring system design.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 11074026, 11074155, and 11104225)the Program for New Century Excellent Talents in University of the Ministry of Education of China (Grant No. NCET-08-0883)the National Basic Research Program of China (Grant No. 2011CB808100)
文摘Nonsequential double ionization (NSDI) processes of nonaligned diatomic molecules N2 and O2 are studied using the S-matrix theory. Our results show that the NSDI process significantly depends on the molecular symmetry and structure. The ratio of NSDI rate to single ionization rate as a function of the field intensity is obtained. It is found that N2 behaves closely with its companion atom Ar in the ratios over the entire intensity range, while O2 exhibits an obvious suppression effect, which is qualitatively consistent with the experiment.
基金Project(30917011339)supported by the Fundamental Research Funds for the Central Universities,ChinaProject(BK20170820)supported by the Natural Science Foundation of Jiangsu Province,China+2 种基金Projects(61472267,71471091,71271119)supported by the National Natural Science Foundation of ChinaProject(17KJD110008)supported by the Natural Science Fund for Colleges and Universities in Jiangsu Province,ChinaProject(BE2017663)supported by the Key Research & Developement Plan of Jiangsu Province,China
文摘Possessing the unique and highly valuable properties, graphene sheets(GSs) have attracted increasing attention including that from the building engineer due to the fact that Graphene can be utilized to reinforce concrete and other building materials. In this work, the nonlocal elastic theory and classical plate theory(CLPT) are used to derive the governing equations. The element-free framework for analyzing the buckling behaviors of double layer circular graphene sheets(DLCGSs) relying on an elastic medium is proposed. Pasternak-type model is adopted to describe the elastic medium. Accordingly, the influences of boundary conditions, size of GSs and nonlocal parameters on the buckling behavior of DLCGSs are investigated. The results show that the OP buckling modes are only sensible to the van der Waals forces.
基金We wish to thank to the National Natural Science Foundation of China(to grant No,29903006 and 29973023)the Visiting Scholar Foundation of Key Laboratory in University of China for financial suppor.
文摘By using the iterative method in functional theory, an analytic expression of the Poisson-Boltzmann equation (PB eq.), which describes the distribution of the potential of electrical double layer of a spherical micelle, has been carried out under the general potential condition for the first time. The method also can give the radius, the surface potential, and the thickness of the layer.
文摘In this paper, external bifurcations of heterodimensional cycles connecting three saddle points with one orbit flip, in the shape of “∞”, are studied in three-dimensional vector field. We construct a poincaré return map between returning points in a transverse section by establishing a locally active coordinate system in the tubular neighborhood of unperturbed double heterodimensional cycles, through which the bifurcation equations are obtained under different conditions. Near the double heterodimensional cycles, the authors prove the preservation of “∞”-shape double heterodimensional cycles and the existence of the second and third shape heterodimensional cycle and a large 1-heteroclinic cycle connecting with <em>P</em><sub>1</sub> and <em>P</em><sub>3</sub>. The coexistence of a 1-fold large 1-heteroclinic cycle and the “∞”-shape double heterodimensional cycles and the coexistence conditions are also given in the parameter space.
文摘In this study, as the domain of four dimensional Euler mean E(r,s) of orders r,sin the space L_p for 0 < p < 1, we examine the double sequence space ε_p^(r,s) and some properties of four dimensional Euler mean. We determine the α-and β(bp)-duals of the space εp r,s, and characterize the classes(ε_p^(r,s):M_u),(ε_p^(r,s):C_(bp)) and(ε_p^(r,s):L_q) of four dimensional matrix transformations, where 1 ≤q < ∞. Finally, we shortly emphasize on the Euler spaces of single and double sequences, and note some further suggestions.
基金supported by the National Natural Science Foundation of China (Grant No.51007068)the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No.20100201120028)+1 种基金the Fundamental Research Funds for the Central Universities of Chinathe State Key Laboratory of Electrical Insulation and Power Equipment of China (Grant No.EIPE10303)
文摘In this paper, period-doubling bifurcation in a two-stage power factor correction converter is analyzed by using the method of incremental harmonic balance (IHB) and Floquet theory. A two-stage power factor correction converter typically employs a cascade configuration of a pre-regulator boost power factor correction converter with average current mode control to achieve a near unity power factor and a tightly regulated post-regulator DC-DC Buck converter with voltage feedback control to regulate the output voltage. Based on the assumption that the tightly regulated postregulator DC-DC Buck converter is represented as a constant power sink and some other assumptions, the simplified model of the two-stage power factor correction converter is derived and its approximate periodic solution is calculated by the method of IHB. And then, the stability of the system is investigated by using Floquet theory and the stable boundaries are presented on the selected parameter spaces. Finally, some experimental results are given to confirm the effectiveness of the theoretical analysis.
基金This work was supported by the National Natural Science Key Foundation of China (20490209) and Young Teacher Foundation of Beijing Chemical Technology University (QN0308)
文摘The geometries of reactant, product and transition state of the title reaction have been optimized by using density functional theory (DFT) at the B3LYP/6-31G(d,p) and B3LYP/6- 311++G(d,p) levels. The variations of the bond parameters in the course of reaction were analyzed. The zero point energy corrections were performed by vibrational analysis. The equilibrium states and the transition state were verified according to the number of virtue frequency of geometry. The intrinsic reaction coordinates (IRC) were calculated from the transition state. The calculated results show that the double bond rearrangement of butene catalyzed by 1-butyl-3-methyl-imidazolium cation is a one-step reaction. The forward energy barrier of isomerization from 1-butene to 2- butene is about 193 kJ·mol-1 and the reverse energy barrier about 209 kJ·mol-1 at the B3LYP/6- 31G(d,p) level, which means that the reaction is easy to proceed at or above room temperature.
基金the National Natural Science Foundation of China(Grant Nos.11674231 and 12074261)the Shanghai Natural Science Foundation,China(Grant No.20ZR1441600).
文摘In strong-field double ionization,two electrons are ionized by intense laser field.These two electrons move in the laser field and the state is described by a Coulomb-Volkov state,where the repulsive Coulomb state describes the relative motion of the two electrons and the Volkov state describes the center-of-mass motion of the two electrons in the laser field.In the frame of scattering theory,we derive a simple analytical formula of the double ionization of He-like atoms.The effect of the Coulomb force between two electrons on the double ionization process is discussed.Numerical studies disclose that the Coulomb force enhances the ionization rate of high-energy electrons but suppresses the ionization rate of the lowest-energy electrons.