The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity funct...The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.展开更多
Condensation is an important regime of heat transfer which has wide applications in different industries such as power plants,heating,ventilating and air conditioning,and refrigeration.Condensation occurs in two diffe...Condensation is an important regime of heat transfer which has wide applications in different industries such as power plants,heating,ventilating and air conditioning,and refrigeration.Condensation occurs in two different modes including filmwise (FWC) and dropwise (DWC) condensation.DWC occurring on hydrophobic and superhydrophobic surfaces has a much higher heat transfer capacity than FWC.Therefore,wide investigations have been done to produce DWC in recent years.Superhydrophobic surfaces have micro/nano structures with low surface energy.In this study,a two-step electrodeposition process is used to produce micro/nano structures on copper specimens.The surface energy of specimens is reduced by a self-assembled monolayer using ethanol and 1-octadecanethiol solution.The results show that there is an optimum condition for electrodeposition parameters.For example,a surface prepared by 2000 s step time has 5 times greater heat transfer than FWC while a surface with 4000 s step time has nearly the same heat transfer as FWC.The surfaces of the fabricated specimens are examined using XRD and SEM analyses.The SEM analyses of the surfaces show that there are some micro-structures on the surfaces and the surface porosities are reduced by increasing the second step electrodeposition time.展开更多
Nanograins are characterized by a typical grain size from 1 to 100 nm. Molecular dynamics simulations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm. We study the influence of ...Nanograins are characterized by a typical grain size from 1 to 100 nm. Molecular dynamics simulations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm. We study the influence of grain size on structure and diffusion properties of the nanograins. The results reveal that as the grain size is reduced, the fraction of grain surface increases significantly, and the surface width is approximately constant; the mean atomic energy of the surface increases distinctly, but that of the grain interior varies insignificantly; the diffusion coefficient is increased sharply, and the relation of the diffusion coefficient and the grain size is close to exponential relation below 10 nm.展开更多
The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development...The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development of the construction strategies for achieving zero-dimensional (0D), one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) micro/nanostructures from energetic molecules is introduced. Also, an overview of the unique properties induced by micro/nanostructures and size effects is provided. Special emphasis is focused on the size-dependent properties that are different from those of the conventional micro-sized energetic materials, such as thermal decomposition, sensitivity, combustion and detonation, and compaction behaviors. A conclusion and our view of the future development of micro/nano-energetic materials and devices are given.展开更多
In order to study the structure transition during calcination, nano-titania powders prepared by hydrolyzing precipitation approach and calcined at 300, 400, 500, 600 and 700 ℃ were characterized by XRD, TEM and elect...In order to study the structure transition during calcination, nano-titania powders prepared by hydrolyzing precipitation approach and calcined at 300, 400, 500, 600 and 700 ℃ were characterized by XRD, TEM and electron diffraction(ED), respectively. The results show that titania powders calcined below 500 ℃ are almost composed of anatase, rutile appears below 500 ℃ and its ratio increases gradually with increase of calcin temperature; nano-titania particles are smaller than 40 nm mostly and the dispersion is related to calcining temperature; the inter-planar distances of nano-anatase single crystalline change gradually when calcing temperature increases to 500 ℃; so do that of nano-rutile single crystalline when calcining temperature charges from 600 to 700 ℃. The conclusions can be drawn that the temperature of transformation from anatase to rutile is below 500 ℃ and the process carries on gradually. Both inter-planar distances and the structure of nano-titania transform gradually with increasing calcing temperature.展开更多
The coating of plastics for optical applications is intended to improve the mechanical durability of soft polymers and to serve an antireflection function. Usually a classic four-layer antireflection system is added o...The coating of plastics for optical applications is intended to improve the mechanical durability of soft polymers and to serve an antireflection function. Usually a classic four-layer antireflection system is added on top of a single-layer hard coating. With needle optimisation,an alternative coating design has been developed. Plasma ion assisted deposition was used to deposit coatings upon polymers. Uniform antireflection and high scratch resistance have been achieved.展开更多
文摘The electronic structure,magnetic,and optical properties of two-dimensional(2D)GaSe doped with rare earth elements X(X=Sc,Y,La,Ce,Eu)were calculated using the first-principles plane wave method based on den-sity functional theory.The results show that intrinsic 2D GaSe is a p-type nonmagnetic semiconductor with an indi-rect bandgap of 2.6611 eV.The spin-up and spin-down channels of Sc-,Y-,and La-doped 2D GaSe are symmetric,they are non-magnetic semiconductors.The magnetic moments of Ce-and Eu-doped 2D GaSe are 0.908μ_(B)and 7.163μ_(B),which are magnetic semiconductors.Impurity energy levels appear in both spin-up and spin-down chan-nels of Eu-doped 2D GaSe,which enhances the probability of electron transition.Compared with intrinsic 2D GaSe,the static dielectric constant of the doped 2D GaSe increases,and the polarization ability is strengthened.The ab-sorption spectrum of the doped 2D GaSe shifts in the low-energy direction,and the red-shift phenomenon occurs,which extends the absorption spectral range.The optical reflection coefficient of the doped 2D GaSe is improved in the low energy region,and the improvement of Eu-doped 2D GaSe is the most obvious.
文摘Condensation is an important regime of heat transfer which has wide applications in different industries such as power plants,heating,ventilating and air conditioning,and refrigeration.Condensation occurs in two different modes including filmwise (FWC) and dropwise (DWC) condensation.DWC occurring on hydrophobic and superhydrophobic surfaces has a much higher heat transfer capacity than FWC.Therefore,wide investigations have been done to produce DWC in recent years.Superhydrophobic surfaces have micro/nano structures with low surface energy.In this study,a two-step electrodeposition process is used to produce micro/nano structures on copper specimens.The surface energy of specimens is reduced by a self-assembled monolayer using ethanol and 1-octadecanethiol solution.The results show that there is an optimum condition for electrodeposition parameters.For example,a surface prepared by 2000 s step time has 5 times greater heat transfer than FWC while a surface with 4000 s step time has nearly the same heat transfer as FWC.The surfaces of the fabricated specimens are examined using XRD and SEM analyses.The SEM analyses of the surfaces show that there are some micro-structures on the surfaces and the surface porosities are reduced by increasing the second step electrodeposition time.
基金supported by the National Naturl Science Foundation of China(No.10172088)the Potdoctoral Saience Foundation of China
文摘Nanograins are characterized by a typical grain size from 1 to 100 nm. Molecular dynamics simulations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm. We study the influence of grain size on structure and diffusion properties of the nanograins. The results reveal that as the grain size is reduced, the fraction of grain surface increases significantly, and the surface width is approximately constant; the mean atomic energy of the surface increases distinctly, but that of the grain interior varies insignificantly; the diffusion coefficient is increased sharply, and the relation of the diffusion coefficient and the grain size is close to exponential relation below 10 nm.
基金Sponsored by National Natural Science Foundation of China (21231002,21276026,21271023,21173021,91022006,11202193,11172276,and 11072225)the 111 Project ( B07012)+1 种基金the Program of Cooperation of the Beijing Education Commission ( 20091739006)Specialized Research Fund for the Doctoral Program of Higher Education ( 20101101110031)
文摘The recent research progress of structure- and size-controlled micro/nano-energetic materials is reviewed, which properties are fundamentally different from those of their corresponding bulk materials. The development of the construction strategies for achieving zero-dimensional (0D), one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) micro/nanostructures from energetic molecules is introduced. Also, an overview of the unique properties induced by micro/nanostructures and size effects is provided. Special emphasis is focused on the size-dependent properties that are different from those of the conventional micro-sized energetic materials, such as thermal decomposition, sensitivity, combustion and detonation, and compaction behaviors. A conclusion and our view of the future development of micro/nano-energetic materials and devices are given.
文摘In order to study the structure transition during calcination, nano-titania powders prepared by hydrolyzing precipitation approach and calcined at 300, 400, 500, 600 and 700 ℃ were characterized by XRD, TEM and electron diffraction(ED), respectively. The results show that titania powders calcined below 500 ℃ are almost composed of anatase, rutile appears below 500 ℃ and its ratio increases gradually with increase of calcin temperature; nano-titania particles are smaller than 40 nm mostly and the dispersion is related to calcining temperature; the inter-planar distances of nano-anatase single crystalline change gradually when calcing temperature increases to 500 ℃; so do that of nano-rutile single crystalline when calcining temperature charges from 600 to 700 ℃. The conclusions can be drawn that the temperature of transformation from anatase to rutile is below 500 ℃ and the process carries on gradually. Both inter-planar distances and the structure of nano-titania transform gradually with increasing calcing temperature.
文摘The coating of plastics for optical applications is intended to improve the mechanical durability of soft polymers and to serve an antireflection function. Usually a classic four-layer antireflection system is added on top of a single-layer hard coating. With needle optimisation,an alternative coating design has been developed. Plasma ion assisted deposition was used to deposit coatings upon polymers. Uniform antireflection and high scratch resistance have been achieved.
