As the era of nanoelectronics is dawning,CNT(carbon nanotube),a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical prop...As the era of nanoelectronics is dawning,CNT(carbon nanotube),a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical properties,this paper has researched the influence of tension-twisting deformation,defects,and mixed type on the electronic structure and optical properties of the armchair carbon nanotube superlattices doped cyclic alternately with B and N by using the first-principle method.Our findings show that if tension-twisting deformation is conducted,then the geometric structure,bond length,binding energy,band gap and optical properties of B,N doped carbon nanotube superlattices with defects and mixed type will be influenced.As the degree of exerted tension-twisting deformation increases,B,N doped carbon nanotube superlattices become less stable,and B,N doped carbon nanotube superlattices with defects are more stable than that with exerted tension-twisting deformations.Proper tension-twisting deformation can adjust the energy gap of the system;defects can only reduce the energy gap,enhancing the system metallicity;while the mixed type of 5%tension,twisting angle of 15° and atomic defects will significantly increase the energy gap of the system.From the perspective of optical properties,doped carbon nanotubes may transform the system from metallicity into semi-conductivity.展开更多
Artificial architected metamaterials equipped with unique mechanical and physical properties that are naturally inaccessible can be obtained by rational design.In this work,the innovative three-dimensional(3D)chiral a...Artificial architected metamaterials equipped with unique mechanical and physical properties that are naturally inaccessible can be obtained by rational design.In this work,the innovative three-dimensional(3D)chiral and anti-chiral metamaterials are developed referring to the face-rotating polyhedral(FRP)structure present in the virus.Through assembling planar triangular units into the regular octahedron cells,several typical forms of chiral and anti-chiral metamaterials can be obtained by different assembly methods.By changing the topology parameters,the Poisson’s ratio can be adjusted between[0,2.8].The metamaterials are fabricated by 3D printing utilizing shape memory polymer,and the mechanical properties are analyzed via Finite Element Analysis(FEA)and experiments,including Young’s modulus,Poisson’s ratio,and tension-twist coupling behavior.In addition,target metamaterial with specific local deformation behavior is obtained by programmatic calculations and distributions to meet special requirements or achieve unique applications.The shape memory property endows the mechanical metamaterials with more potential applications.展开更多
基金supported by the National Natural Science Foundation of China(No.51371049)the Natural Science Foundation of Liaoning Province(No.20102173)
文摘As the era of nanoelectronics is dawning,CNT(carbon nanotube),a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical properties,this paper has researched the influence of tension-twisting deformation,defects,and mixed type on the electronic structure and optical properties of the armchair carbon nanotube superlattices doped cyclic alternately with B and N by using the first-principle method.Our findings show that if tension-twisting deformation is conducted,then the geometric structure,bond length,binding energy,band gap and optical properties of B,N doped carbon nanotube superlattices with defects and mixed type will be influenced.As the degree of exerted tension-twisting deformation increases,B,N doped carbon nanotube superlattices become less stable,and B,N doped carbon nanotube superlattices with defects are more stable than that with exerted tension-twisting deformations.Proper tension-twisting deformation can adjust the energy gap of the system;defects can only reduce the energy gap,enhancing the system metallicity;while the mixed type of 5%tension,twisting angle of 15° and atomic defects will significantly increase the energy gap of the system.From the perspective of optical properties,doped carbon nanotubes may transform the system from metallicity into semi-conductivity.
基金the National Natural Science Foundation of China[Grant No.12072094 and 12172106]Heilongjiang Touyan Innovation Team Program and the Fundamental Research Funds for the Central Universities[No.IR2021106 and IR2021232]。
文摘Artificial architected metamaterials equipped with unique mechanical and physical properties that are naturally inaccessible can be obtained by rational design.In this work,the innovative three-dimensional(3D)chiral and anti-chiral metamaterials are developed referring to the face-rotating polyhedral(FRP)structure present in the virus.Through assembling planar triangular units into the regular octahedron cells,several typical forms of chiral and anti-chiral metamaterials can be obtained by different assembly methods.By changing the topology parameters,the Poisson’s ratio can be adjusted between[0,2.8].The metamaterials are fabricated by 3D printing utilizing shape memory polymer,and the mechanical properties are analyzed via Finite Element Analysis(FEA)and experiments,including Young’s modulus,Poisson’s ratio,and tension-twist coupling behavior.In addition,target metamaterial with specific local deformation behavior is obtained by programmatic calculations and distributions to meet special requirements or achieve unique applications.The shape memory property endows the mechanical metamaterials with more potential applications.