A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET speci...A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.展开更多
Nanocrystalline and amorphous Mg2Ni-type（Mg24Ni10Cu2）100–xNdx（x = 0, 5, 10, 15, 20） alloys were prepared by melt-spinning technology. The structures of as-cast and spun alloys were characterised by X-ray diffract...Nanocrystalline and amorphous Mg2Ni-type（Mg24Ni10Cu2）100–xNdx（x = 0, 5, 10, 15, 20） alloys were prepared by melt-spinning technology. The structures of as-cast and spun alloys were characterised by X-ray diffraction,scanning electron microscopy and transmission electron microscopy. Electrochemical performance of the alloy electrodes was measured using an automatic galvanostatic system. The electrochemical impedance spectra and Tafel polarisation curves of the alloy electrodes were plotted using an electrochemical work station. The hydrogen diffusion coefficients were calculated using the potential step method. Results indicate that all the as-cast alloys present a multiphase structure with Mg2 Ni type as the major phase with Mg6 Ni, Nd5Mg41 and Nd Ni as secondary phases. The secondary phases increased with the increasing Nd content. The as-spun Nd-free alloy exhibited nanocrystalline structure, whereas the as-spun Nd-doped alloys exhibited nanocrystalline and amorphous structures. These results suggest that adding Nd facilitates glass formation of Mg2Ni-type alloys. Melt spinning and Nd addition improved alloy electrochemical performance, which includes discharge potential characteristics, discharge capacity, electrochemical cycle stability and high-rate discharge ability.展开更多
In order to improve the gaseous and electrochemical hydrogen storage kinetics of the M2Nitype alloy, the elements Cu and Nd were added in the alloy. The nanocrystalline and amorphous Mg2Ni-type alloys with the composi...In order to improve the gaseous and electrochemical hydrogen storage kinetics of the M2Nitype alloy, the elements Cu and Nd were added in the alloy. The nanocrystalline and amorphous Mg2Ni-type alloys with the composition of（Mg24Ni10Cu2）100-xNdx（x = 0, 5, 10, 15, 20） were prepared by melt spinning technology. The effects of Nd content on the structures and hydrogen storage kinetics of the alloys were investigated. The characterization by X-ray diffraction（XRD）, transmission electron microscopy（TEM） and scanning electron microscopy（SEM） reveals that all the as-cast alloys hold multiphase structures, containing Mg2Ni-type major phase as well as some secondary phases Mg6Ni, Nd5Mg41, and Nd Ni, whose amounts clearly grow with increasing Nd content. Furthermore, the as-spun Nd-free alloy displays an entire nanocrystalline structure, whereas the as-spun Nd-added alloys hold a mixed structure of nanocrystalline and amorphous structure and the amorphization degree of the alloys visibly increases with the rising of the Nd content, suggesting that the addition of Nd facilitates the glass forming in the Mg2Ni-type alloy. The measurement of the hydrogen storage kinetics indicates that the addition of Nd significantly improves the gaseous and electrochemical hydrogen storage kinetics of the alloys. The addition of Nd enhances the diffusion ability of hydrogen atoms in the alloy, but it impairs the charge-transfer reaction on the surface of the alloy electrode, which makes the high rate discharge ability（HRD） of the alloy electrode fi rst mount up and then go down with the growing of Nd content.展开更多
By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L...By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of states (DOS) and one-electron properties, such as relative binding tendency between the atom and the model cluster, and hybrid bonding tendency between the alloying element and the host atoms. By comparing the four models of Ti4Al14X cluster, the effect of the Fe, Ni or Cu atom on the physical properties of Al3Ti-based L12 intermetallic compounds is analyzed. The results indicate that the addition of the Fe, Ni or Cu atom intensifies the relative binding tendency between Ti atom and Ti4Al14X cluster. It was found that the Fermi level (EF) lies in a maximum in the DOS for Ti4Al14Al cluster; on the contrary, the EF comes near a minimum tn the DOS for Ti4Al14X (X=Fe, Ni and Cu) cluster. Thus the L12 crystal structure for binary Al3Ti alloy is unstable, and the addition of the Fe, Ni or Cu atom to Al3Ti is benefical to stabilize L12 crystal structure. The calculation also shows that the Fe, Ni or Cu atom strengthens the hybrid bonding tendency between the central atom and the host atoms for Ti4Al14X cluster and thereby may lead to the constriction of the lattice of Al3Ti-base intermetallic compounds.展开更多
Perovskite solar cells(PSCs)have seen remarkable progress in recent years,largely attributed to various additives that enhance both efficiency and stability.Among these,fluorine-containing additives have garnered sign...Perovskite solar cells(PSCs)have seen remarkable progress in recent years,largely attributed to various additives that enhance both efficiency and stability.Among these,fluorine-containing additives have garnered significant interest because of their unique hydrophobic properties,effective defect passivation,and regulation capability on the crystallization process.However,a targeted structural approach to design such additives is necessary to further enhance the performance of PSCs.Here,fluoroalkyl ethylene with different fluoroalkyl chain lengths(CH_(2)CH(CF_(2))nCF_(3),n=3,5,and 7)as liquid additives is used to investigate influences of fluoroalkyl chain lengths on crystallization regulation and defect passivation.The findings indicate that optimizing the quantity of F groups plays a crucial role in regulating the electron cloud distribution within the additive molecules.This optimization fosters strong hydrogen bonds and coordination effects with FA+and uncoordinated Pb^(2+),ultimately enhancing crystal quality and device performance.Notably,1H,1H,2H-perfluoro-1-hexene(PF_(3))with the optimal number of F presents the most effective modulation effect.A PSC utilizing PF_(3)achieves an efficiency of 24.05%,and exhibits exceptional stability against humidity and thermal fluctuations.This work sheds light on the importance of tailored structure designs in additives for achieving high-performance PSCs.展开更多
This paper is concerned with the estimating problem of seemingly unrelated(SU)nonparametric additive regression models.A polynomial spline based two-stage efficient approach is proposed to estimate the nonparametric c...This paper is concerned with the estimating problem of seemingly unrelated(SU)nonparametric additive regression models.A polynomial spline based two-stage efficient approach is proposed to estimate the nonparametric components,which takes both of the additive structure and correlation between equations into account.The asymptotic normality of the derived estimators are established.The authors also show they own some advantages,including they are asymptotically more efficient than those based on only the individual regression equation and have an oracle property,which is the asymptotic distribution of each additive component is the same as it would be if the other components were known with certainty.Some simulation studies are conducted to illustrate the finite sample performance of the proposed procedure.Applying the proposed procedure to a real data set is also made.展开更多
High-dimensional covariance matrices have attracted much attention of statisticians and econometricians during the past decades.Vast literature is devoted to the research in high-dimensional covariance matrices.Howeve...High-dimensional covariance matrices have attracted much attention of statisticians and econometricians during the past decades.Vast literature is devoted to the research in high-dimensional covariance matrices.However,most of them are for constant covariance matrices.In many applications,constant covariance matrices are not appropriate,e.g.,in portfolio allocation,dynamic covariance matrices would make much more sense.Simply assuming each entry of a covariance matrix is a function of time to introduce a dynamic structure would not work.In this paper,we are going to introduce a class of high-dimensional dynamic covariance matrices in which a kind of additive structure is embedded.We will show the proposed high-dimensional dynamic covariance matrices have many advantages in applications.An estimation procedure is also proposed to estimate the proposed high-dimensional dynamic covariance matrices.Asymptotic properties are built to justify the proposed estimation procedure.Intensive simulation studies show the proposed estimation procedure works very well when sample size is finite.Finally,we apply the proposed high-dimensional dynamic covariance matrices,together with the proposedestimation procedure,to portfolio allocation.The results look very interesting.展开更多
The soil-rock mixture(SRM) is highly heterogeneous. Before carrying out numerical analysis,a structure model should be generated. A reliable way to obtain such structure is by generating random aggregate structure bas...The soil-rock mixture(SRM) is highly heterogeneous. Before carrying out numerical analysis,a structure model should be generated. A reliable way to obtain such structure is by generating random aggregate structure based on random sequential addition(RSA). The classical RSA is neither efficient nor robust since valid positions to place new inclusions are formulated by trial, which involves repetitive overlapping tests. In this paper, the algorithm of Entrance block between block A and B(EAB)is synergized with background mesh to redesign RSA so that permissible positions to place new inclusions can be predicted,resulting in dramatic improvement in efficiency and robustness.展开更多
基金financially supported by the National High-Tech Research and Development Program of China (No.2008AA05Z308)the National Natural Science Foundation of China (No.20776150)
文摘A series of granular activated carbons （GACs） were prepared by briquetting method from Chinese coals of different ranks and their blends, with coal pitch as the binder. Pore structural parameters including BET specific surface area （SBEr）, total pore volume （Vr） and average pore diameter （da） were measured and cal- culated as well as process parameters such as yield of char （CY） and burn-off （B）. The relationship between the pore structural parameters of the GAC from coal blend （BC-GAC） and the ones of the GACs from corresponding single coals （SC-GACs） was analyzed, in which an index, the relative error （δ）, was presented to define the bias between fitted values and experimental values of these parameters of the BC-GACs. The results show that the BC-GAC keeps qualitatively the pore structural features of the SC-GACs; as concerned as the quantitative relationship, the pore structural parameters of the BC-GAC from coal blend consisting of non-caking coals can be obtained by adding proportionally the pore structural parameters of the SC-GACs with a less than 10%. Meanwhile, for the BC-GAC from coal blend containing weak caking bituminous coal, the δ increases up to 25% and the experimental pore size distribution differs greatly from the fitted one.
基金financially supported by the National Natural Science Foundation of China (Nos. 51161015 and 51371094)Natural Science Foundation of Inner Mongolia, China (No. 2011ZD10)
文摘Nanocrystalline and amorphous Mg2Ni-type（Mg24Ni10Cu2）100–xNdx（x = 0, 5, 10, 15, 20） alloys were prepared by melt-spinning technology. The structures of as-cast and spun alloys were characterised by X-ray diffraction,scanning electron microscopy and transmission electron microscopy. Electrochemical performance of the alloy electrodes was measured using an automatic galvanostatic system. The electrochemical impedance spectra and Tafel polarisation curves of the alloy electrodes were plotted using an electrochemical work station. The hydrogen diffusion coefficients were calculated using the potential step method. Results indicate that all the as-cast alloys present a multiphase structure with Mg2 Ni type as the major phase with Mg6 Ni, Nd5Mg41 and Nd Ni as secondary phases. The secondary phases increased with the increasing Nd content. The as-spun Nd-free alloy exhibited nanocrystalline structure, whereas the as-spun Nd-doped alloys exhibited nanocrystalline and amorphous structures. These results suggest that adding Nd facilitates glass formation of Mg2Ni-type alloys. Melt spinning and Nd addition improved alloy electrochemical performance, which includes discharge potential characteristics, discharge capacity, electrochemical cycle stability and high-rate discharge ability.
基金Funded by the National Natural Science Foundations of China(Nos.51161015 and 51371094)
文摘In order to improve the gaseous and electrochemical hydrogen storage kinetics of the M2Nitype alloy, the elements Cu and Nd were added in the alloy. The nanocrystalline and amorphous Mg2Ni-type alloys with the composition of（Mg24Ni10Cu2）100-xNdx（x = 0, 5, 10, 15, 20） were prepared by melt spinning technology. The effects of Nd content on the structures and hydrogen storage kinetics of the alloys were investigated. The characterization by X-ray diffraction（XRD）, transmission electron microscopy（TEM） and scanning electron microscopy（SEM） reveals that all the as-cast alloys hold multiphase structures, containing Mg2Ni-type major phase as well as some secondary phases Mg6Ni, Nd5Mg41, and Nd Ni, whose amounts clearly grow with increasing Nd content. Furthermore, the as-spun Nd-free alloy displays an entire nanocrystalline structure, whereas the as-spun Nd-added alloys hold a mixed structure of nanocrystalline and amorphous structure and the amorphization degree of the alloys visibly increases with the rising of the Nd content, suggesting that the addition of Nd facilitates the glass forming in the Mg2Ni-type alloy. The measurement of the hydrogen storage kinetics indicates that the addition of Nd significantly improves the gaseous and electrochemical hydrogen storage kinetics of the alloys. The addition of Nd enhances the diffusion ability of hydrogen atoms in the alloy, but it impairs the charge-transfer reaction on the surface of the alloy electrode, which makes the high rate discharge ability（HRD） of the alloy electrode fi rst mount up and then go down with the growing of Nd content.
文摘By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of states (DOS) and one-electron properties, such as relative binding tendency between the atom and the model cluster, and hybrid bonding tendency between the alloying element and the host atoms. By comparing the four models of Ti4Al14X cluster, the effect of the Fe, Ni or Cu atom on the physical properties of Al3Ti-based L12 intermetallic compounds is analyzed. The results indicate that the addition of the Fe, Ni or Cu atom intensifies the relative binding tendency between Ti atom and Ti4Al14X cluster. It was found that the Fermi level (EF) lies in a maximum in the DOS for Ti4Al14Al cluster; on the contrary, the EF comes near a minimum tn the DOS for Ti4Al14X (X=Fe, Ni and Cu) cluster. Thus the L12 crystal structure for binary Al3Ti alloy is unstable, and the addition of the Fe, Ni or Cu atom to Al3Ti is benefical to stabilize L12 crystal structure. The calculation also shows that the Fe, Ni or Cu atom strengthens the hybrid bonding tendency between the central atom and the host atoms for Ti4Al14X cluster and thereby may lead to the constriction of the lattice of Al3Ti-base intermetallic compounds.
基金the National Natural Science Foundation of China(Nos.62105293,91963212,52303257,and 52321006)the National Key Research and Development Program of China(No.2018YFA0208501)+6 种基金the Beijing National Laboratory for Molecular Sciences(No.BNLMSCXXM-202005)Graduate Education Reform Project of Henan Province(No.2023SJGLX136Y)the China Postdoctoral Science Foundation(Nos.2023TQ0300 and 2023M743171)the Key Scientific Research Projects of Colleges and Universities in Henan Province(No.23A430017)the Outstanding Young Talent Research Fund of Zhengzhou University,Opening Project of State Key Laboratory of Advanced Technology for Float Glass(No.2022KF04)the Joint Research Project of Puyang Shengtong Juyuan New Materials Co.,Ltd.,and Outstanding Young Talents Innovation Team Support Plan of Zhengzhou University.supported by the Henan Supercomputer Center.
文摘Perovskite solar cells(PSCs)have seen remarkable progress in recent years,largely attributed to various additives that enhance both efficiency and stability.Among these,fluorine-containing additives have garnered significant interest because of their unique hydrophobic properties,effective defect passivation,and regulation capability on the crystallization process.However,a targeted structural approach to design such additives is necessary to further enhance the performance of PSCs.Here,fluoroalkyl ethylene with different fluoroalkyl chain lengths(CH_(2)CH(CF_(2))nCF_(3),n=3,5,and 7)as liquid additives is used to investigate influences of fluoroalkyl chain lengths on crystallization regulation and defect passivation.The findings indicate that optimizing the quantity of F groups plays a crucial role in regulating the electron cloud distribution within the additive molecules.This optimization fosters strong hydrogen bonds and coordination effects with FA+and uncoordinated Pb^(2+),ultimately enhancing crystal quality and device performance.Notably,1H,1H,2H-perfluoro-1-hexene(PF_(3))with the optimal number of F presents the most effective modulation effect.A PSC utilizing PF_(3)achieves an efficiency of 24.05%,and exhibits exceptional stability against humidity and thermal fluctuations.This work sheds light on the importance of tailored structure designs in additives for achieving high-performance PSCs.
基金supported by National Natural Science Funds for Distinguished Young Scholar under Grant No.70825004National Natural Science Foundation of China under Grant Nos.10731010 and 10628104+3 种基金the National Basic Research Program under Grant No.2007CB814902Creative Research Groups of China under Grant No.10721101supported by leading Academic Discipline Program,211 Project for Shanghai University of Finance and Economics(the 3rd phase)and project number:B803supported by grants from the National Natural Science Foundation of China under Grant No.11071154
文摘This paper is concerned with the estimating problem of seemingly unrelated(SU)nonparametric additive regression models.A polynomial spline based two-stage efficient approach is proposed to estimate the nonparametric components,which takes both of the additive structure and correlation between equations into account.The asymptotic normality of the derived estimators are established.The authors also show they own some advantages,including they are asymptotically more efficient than those based on only the individual regression equation and have an oracle property,which is the asymptotic distribution of each additive component is the same as it would be if the other components were known with certainty.Some simulation studies are conducted to illustrate the finite sample performance of the proposed procedure.Applying the proposed procedure to a real data set is also made.
文摘High-dimensional covariance matrices have attracted much attention of statisticians and econometricians during the past decades.Vast literature is devoted to the research in high-dimensional covariance matrices.However,most of them are for constant covariance matrices.In many applications,constant covariance matrices are not appropriate,e.g.,in portfolio allocation,dynamic covariance matrices would make much more sense.Simply assuming each entry of a covariance matrix is a function of time to introduce a dynamic structure would not work.In this paper,we are going to introduce a class of high-dimensional dynamic covariance matrices in which a kind of additive structure is embedded.We will show the proposed high-dimensional dynamic covariance matrices have many advantages in applications.An estimation procedure is also proposed to estimate the proposed high-dimensional dynamic covariance matrices.Asymptotic properties are built to justify the proposed estimation procedure.Intensive simulation studies show the proposed estimation procedure works very well when sample size is finite.Finally,we apply the proposed high-dimensional dynamic covariance matrices,together with the proposedestimation procedure,to portfolio allocation.The results look very interesting.
基金supported by the National Basic Research Program of China(973 Program)(Grant No.2014CB047100)the National Natural Science Foundation of China(Grant Nos.11572009,51538001 and 51609240)
文摘The soil-rock mixture(SRM) is highly heterogeneous. Before carrying out numerical analysis,a structure model should be generated. A reliable way to obtain such structure is by generating random aggregate structure based on random sequential addition(RSA). The classical RSA is neither efficient nor robust since valid positions to place new inclusions are formulated by trial, which involves repetitive overlapping tests. In this paper, the algorithm of Entrance block between block A and B(EAB)is synergized with background mesh to redesign RSA so that permissible positions to place new inclusions can be predicted,resulting in dramatic improvement in efficiency and robustness.
