Based on the Hirota bilinear method,this study derived N-soliton solutions,breather solutions,lump solutions and interaction solutions for the(2+1)-dimensional extended Boiti-Leon-Manna-Pempinelli equation.The dynamic...Based on the Hirota bilinear method,this study derived N-soliton solutions,breather solutions,lump solutions and interaction solutions for the(2+1)-dimensional extended Boiti-Leon-Manna-Pempinelli equation.The dynamical characteristics of these solutions were displayed through graphical,particularly revealing fusion and ssion phenomena in the interaction of lump and the one-stripe soliton.展开更多
Structural and electronic properties of Pb_(n)Ag_(n)(n=2–12)clusters were investigated by density functional theory with generalized gradient approximation at BLYP level in DMol3 program package.The optimized bimetal...Structural and electronic properties of Pb_(n)Ag_(n)(n=2–12)clusters were investigated by density functional theory with generalized gradient approximation at BLYP level in DMol3 program package.The optimized bimetallic Pb_(n)Ag_(n)(n=2–12)clusters were viewed as the initial structures,then,those were calculated by ab initio molecular dynamics(AIMD)to search possible global minimum energy structures of Pb_(n)Ag_(n)clusters,finally,the ground state structures of Pb_(n)Ag_(n)(n=2–12)clusters were achieved.According to the structural evolution of lowest energy structures,Ag atoms prefer gather in the central sites while Pb atoms prefer external positions in Pb_(n)Ag_(n)(n=2–12)clusters,which is in excellent agreement with experimental results from literature and the application in metallurgy.The average binding energies,HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities,chemical hardnessη,HOMO orbits,LUMO orbits and density of states of Pb_(n)Ag_(n)(n=2–12)clusters were calculated.The results indicate that the values of HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities and chemical hardnessηshow obvious odd-even oscillations when n≤5,Pb_(n)Ag_(n)(n=2–12)clusters become less chemically stable and show insulator-to-metal transition with the variation of cluster size n,Pb_(n)Ag_(n)(n≥9)cluster are good candidates to study the properties of PbAg alloys.Those can be well explained by the density of states(DOS)distributions of Pb atoms and Ag atoms between–0.5 Ha and 0.25 Ha in Pb_(n)Ag_(n)(n=2–12)clusters.展开更多
A new complex[Ni(en) 2V 6O 14] n was hydrothermally synthesized and characterized by 2-dimensional vanadium oxide framework pillared by Ni(en) 2 group. Single crystal X-ray analysis indicates that this compound crysta...A new complex[Ni(en) 2V 6O 14] n was hydrothermally synthesized and characterized by 2-dimensional vanadium oxide framework pillared by Ni(en) 2 group. Single crystal X-ray analysis indicates that this compound crystallizes in monoclinic system, space group P2 1/c with a= 0.892 17(18) nm, b= 1.711 1(3) nm, c=0.662 73(13) nm, β=111.58(3)°, V=0.940 8(3) nm 3, Z=2, D c= 2.501 g/cm 3, R=0.042 3, wR=0.060 9, S=1.006.展开更多
基金Supported by the National Natural Science Foundation of China(12275172)。
文摘Based on the Hirota bilinear method,this study derived N-soliton solutions,breather solutions,lump solutions and interaction solutions for the(2+1)-dimensional extended Boiti-Leon-Manna-Pempinelli equation.The dynamical characteristics of these solutions were displayed through graphical,particularly revealing fusion and ssion phenomena in the interaction of lump and the one-stripe soliton.
基金Project(51664032)supported by the Regional Foundation of the National Natural Science Foundation of ChinaProject(51474116)supported by the General Program of the National Natural Science Foundation of China+5 种基金Project(U1502271)supported by the Joint Foundation of the NSFC-Yunnan Province,ChinaProject(2014HA003)supported by the Cultivating Plan Program for the Leader in Science and Technology of Yunnan Province,ChinaProject(2014RA4018)supported by the Program for Nonferrous Metals Vacuum Metallurgy Innovation Team of Ministry of Science and Technology,ChinaProject(2016YFC0400404)supported by the National Key Research and Development Program of ChinaProject(51504115)supported by the Youth Program of National Natural Science Foundation of ChinaProject(IRT_17R48)supported by the Program for Innovative Research Team in University of Ministry of Education of China
文摘Structural and electronic properties of Pb_(n)Ag_(n)(n=2–12)clusters were investigated by density functional theory with generalized gradient approximation at BLYP level in DMol3 program package.The optimized bimetallic Pb_(n)Ag_(n)(n=2–12)clusters were viewed as the initial structures,then,those were calculated by ab initio molecular dynamics(AIMD)to search possible global minimum energy structures of Pb_(n)Ag_(n)clusters,finally,the ground state structures of Pb_(n)Ag_(n)(n=2–12)clusters were achieved.According to the structural evolution of lowest energy structures,Ag atoms prefer gather in the central sites while Pb atoms prefer external positions in Pb_(n)Ag_(n)(n=2–12)clusters,which is in excellent agreement with experimental results from literature and the application in metallurgy.The average binding energies,HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities,chemical hardnessη,HOMO orbits,LUMO orbits and density of states of Pb_(n)Ag_(n)(n=2–12)clusters were calculated.The results indicate that the values of HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities and chemical hardnessηshow obvious odd-even oscillations when n≤5,Pb_(n)Ag_(n)(n=2–12)clusters become less chemically stable and show insulator-to-metal transition with the variation of cluster size n,Pb_(n)Ag_(n)(n≥9)cluster are good candidates to study the properties of PbAg alloys.Those can be well explained by the density of states(DOS)distributions of Pb atoms and Ag atoms between–0.5 Ha and 0.25 Ha in Pb_(n)Ag_(n)(n=2–12)clusters.
文摘A new complex[Ni(en) 2V 6O 14] n was hydrothermally synthesized and characterized by 2-dimensional vanadium oxide framework pillared by Ni(en) 2 group. Single crystal X-ray analysis indicates that this compound crystallizes in monoclinic system, space group P2 1/c with a= 0.892 17(18) nm, b= 1.711 1(3) nm, c=0.662 73(13) nm, β=111.58(3)°, V=0.940 8(3) nm 3, Z=2, D c= 2.501 g/cm 3, R=0.042 3, wR=0.060 9, S=1.006.
