The valence subband energies and wave functions of a tensile strained quantum well are calculated by the plane wave expansion method within the 6×6 Luttinger Kohn model.The effect of the number and period of pla...The valence subband energies and wave functions of a tensile strained quantum well are calculated by the plane wave expansion method within the 6×6 Luttinger Kohn model.The effect of the number and period of plane waves used for expansion on the stability of energy eigenvalues is examined.For practical calculation,it should choose the period large sufficiently to ensure the envelope functions vanish at the boundary and the number of plane waves large enough to ensure the energy eigenvalues keep unchanged within a prescribed range.展开更多
Electronic and optical properties of rock-salt AIN under high pressure are investigated by first-principlesmethod based on the plane-wave basis set.Analysis of band structures suggests that the rock-salt AIN has an in...Electronic and optical properties of rock-salt AIN under high pressure are investigated by first-principlesmethod based on the plane-wave basis set.Analysis of band structures suggests that the rock-salt AIN has an indirectgap of 4.53 eV,which is in good agreement with other results.By investigating the effects of pressure on the energygap,the different movement of conduction band at X point below and above 22.5 GPa is predicted.The opticalproperties including dielectric function,absorption,reflectivity,and refractive index are also calculated and analyzed.Itis found that the rock-salt AIN is transparent from the partially ultra-violet to the visible light area and hardly does thetransparence affected by the pressure.Furthermore,the curve of optical spectrum will shift to high energy area (blueshift) with increasing pressure.展开更多
A natural polymer composite is the main choice to replace composites from petroleum derivatives. A composite is formed in two or more phases （i.e., organic and inorganic phases）. A composite that has specified energ...A natural polymer composite is the main choice to replace composites from petroleum derivatives. A composite is formed in two or more phases （i.e., organic and inorganic phases）. A composite that has specified energy band gap, electrical conductivity, and tensile strength can be used as semiconductor material. The objective of this research was to study the effect of production methods, concentration and type of metal oxide filler （TiO2, A1203, Fe203, and ZnO） on structure, energy band gap, and electrical conductivity of composites. Composites were prepared using a melt intercalation process with tapioca as a matrix and addition of 1%, 3%, 5o and 7% filler concentrations, and sonication processing time in interval of 40, 50, and 60 min. Structure and morphology of the composite were analyzed using FT-IR, XRD, SEM, and TEM. UV-vis was used to measure the energy band gap while electrical conductivity was measured using a potentiostat through determination of resistivity. In addition, tensile strength and elongation were measured by ASTM 822-02. The energy band gap of the tapioca/metal oxide composite was between 4.9-1.62 eV. Electrical conductivity showed a percolation thresholds for concentrations of 3%-5% TiO2, A1203, and Fe203 and 7% ZnO. The tapioca/ZnO composite with 5% ZnO and 50 min of processing time showed a maximum tensile strength of 74.84 kgf/cm2, 6% elongation, 1.27 - 10^-7ohm^-1cm^-1 electrical conductivity and energy band gap of 3.27 eV. The characteristics described show that the tapioca/metal oxide composite can be used as a semiconductor material.展开更多
A theoretical basis of optimally designed BRAQWET is pr esented. The optimum parameters of MgZnSSe/ZnSe BRAQWET are obtained by the ca lculation of band-structure according to the depletion approximation.
The fabrication of heterostructures of two-dimensional semiconductors with specific bandgaps is an important approach to realizing the full potential of these materials in electronic and optoelectronic devices. Severa...The fabrication of heterostructures of two-dimensional semiconductors with specific bandgaps is an important approach to realizing the full potential of these materials in electronic and optoelectronic devices. Several groups have recently reported the direct growth of lateral and vertical heterostructures based on monolayers of typical semiconducting transition metal dichalcogenides （TMDCs） such as WSe2, MoSe2, WS2, and MoS2. Here, we demonstrate the single-step direct growth of lateral and vertical heterostructures based on bandgap-tunable Mo1-xWxS2 alloy monolayers by the sulfurization of patterned thin films of WO3 and MoO3. These patterned films are capable of generating a wide variety of concentration gradients by the diffusion of transition metals during the crystal growth phase. Under high temperatures, this leads to the formation of monolayer crystals of Mo1-xWxS2 alloys with various compositions and bandgaps, depending on the positions of the crystals on the substrates. Heterostructures of these alloys are obtained through stepwise changes in the ratio of W/Mo within a single domain during low-temperature growth. The stabilization of the monolayer Mo1-xWxS2 alloys, which often degrade even under gentle conditions, was accomplished by coating the alloys with other monolayers. The present findings demonstrate an efficient means of both studying and optimizing the optical and electrical properties of TMDC-based heterostructures to allow use of the materials in future device applications.展开更多
Multilayer MoS2 is a promising active material for sensing, energy harvesting, and optoelectronic devices owing to its intriguing tunable electronic band structure. However, its optoelectronic applications have been l...Multilayer MoS2 is a promising active material for sensing, energy harvesting, and optoelectronic devices owing to its intriguing tunable electronic band structure. However, its optoelectronic applications have been limited due to its indirect band gap nature. In this study, we fabricated a new type of phototransistor using multilayer MoS2 crystal hybridized with p-type organic semiconducting rubrene patches. Owing to the outstanding photophysical properties of rubrene, the device characteristics such as charge mobility and photoresponsivity were considerably enhanced to an extent depending on the thickness of the rubrene patches. The enhanced photoresponsive conductance was analyzed in terms of the charge results of the nanoscale laser confocal time-resolved PL measurements. transfer doping effect, validated by the microscope photoluminescence （PL） and展开更多
We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation ...We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation density, Mulliken popular and optical spectra are considered to show the special electronic structure of boron doped semiconducting graphene nanoribbons. The C-B bond form is discussed in detail. From our analysis it is concluded that the Fermi energy of boron doped semiconducting graphene nanoribbons gets lower than that of intrinsic semiconducting graphene nanoribbons. Our results also show that the boron doped semiconducting graphene nanoribbons behave as p-type semiconducting and that the absorption coefficient of boron doped armchair graphene nanoribbons is generally enhanced between 2.0 eV and 3.3 eV. Therefore, our results have a great significance in developing nano-material for fabricating the nano-photovoltaic devices.展开更多
文摘The valence subband energies and wave functions of a tensile strained quantum well are calculated by the plane wave expansion method within the 6×6 Luttinger Kohn model.The effect of the number and period of plane waves used for expansion on the stability of energy eigenvalues is examined.For practical calculation,it should choose the period large sufficiently to ensure the envelope functions vanish at the boundary and the number of plane waves large enough to ensure the energy eigenvalues keep unchanged within a prescribed range.
基金National Natural Science Foundation of China under Grant Nos.10576020 and 10776022
文摘Electronic and optical properties of rock-salt AIN under high pressure are investigated by first-principlesmethod based on the plane-wave basis set.Analysis of band structures suggests that the rock-salt AIN has an indirectgap of 4.53 eV,which is in good agreement with other results.By investigating the effects of pressure on the energygap,the different movement of conduction band at X point below and above 22.5 GPa is predicted.The opticalproperties including dielectric function,absorption,reflectivity,and refractive index are also calculated and analyzed.Itis found that the rock-salt AIN is transparent from the partially ultra-violet to the visible light area and hardly does thetransparence affected by the pressure.Furthermore,the curve of optical spectrum will shift to high energy area (blueshift) with increasing pressure.
文摘A natural polymer composite is the main choice to replace composites from petroleum derivatives. A composite is formed in two or more phases （i.e., organic and inorganic phases）. A composite that has specified energy band gap, electrical conductivity, and tensile strength can be used as semiconductor material. The objective of this research was to study the effect of production methods, concentration and type of metal oxide filler （TiO2, A1203, Fe203, and ZnO） on structure, energy band gap, and electrical conductivity of composites. Composites were prepared using a melt intercalation process with tapioca as a matrix and addition of 1%, 3%, 5o and 7% filler concentrations, and sonication processing time in interval of 40, 50, and 60 min. Structure and morphology of the composite were analyzed using FT-IR, XRD, SEM, and TEM. UV-vis was used to measure the energy band gap while electrical conductivity was measured using a potentiostat through determination of resistivity. In addition, tensile strength and elongation were measured by ASTM 822-02. The energy band gap of the tapioca/metal oxide composite was between 4.9-1.62 eV. Electrical conductivity showed a percolation thresholds for concentrations of 3%-5% TiO2, A1203, and Fe203 and 7% ZnO. The tapioca/ZnO composite with 5% ZnO and 50 min of processing time showed a maximum tensile strength of 74.84 kgf/cm2, 6% elongation, 1.27 - 10^-7ohm^-1cm^-1 electrical conductivity and energy band gap of 3.27 eV. The characteristics described show that the tapioca/metal oxide composite can be used as a semiconductor material.
文摘A theoretical basis of optimally designed BRAQWET is pr esented. The optimum parameters of MgZnSSe/ZnSe BRAQWET are obtained by the ca lculation of band-structure according to the depletion approximation.
文摘The fabrication of heterostructures of two-dimensional semiconductors with specific bandgaps is an important approach to realizing the full potential of these materials in electronic and optoelectronic devices. Several groups have recently reported the direct growth of lateral and vertical heterostructures based on monolayers of typical semiconducting transition metal dichalcogenides （TMDCs） such as WSe2, MoSe2, WS2, and MoS2. Here, we demonstrate the single-step direct growth of lateral and vertical heterostructures based on bandgap-tunable Mo1-xWxS2 alloy monolayers by the sulfurization of patterned thin films of WO3 and MoO3. These patterned films are capable of generating a wide variety of concentration gradients by the diffusion of transition metals during the crystal growth phase. Under high temperatures, this leads to the formation of monolayer crystals of Mo1-xWxS2 alloys with various compositions and bandgaps, depending on the positions of the crystals on the substrates. Heterostructures of these alloys are obtained through stepwise changes in the ratio of W/Mo within a single domain during low-temperature growth. The stabilization of the monolayer Mo1-xWxS2 alloys, which often degrade even under gentle conditions, was accomplished by coating the alloys with other monolayers. The present findings demonstrate an efficient means of both studying and optimizing the optical and electrical properties of TMDC-based heterostructures to allow use of the materials in future device applications.
文摘Multilayer MoS2 is a promising active material for sensing, energy harvesting, and optoelectronic devices owing to its intriguing tunable electronic band structure. However, its optoelectronic applications have been limited due to its indirect band gap nature. In this study, we fabricated a new type of phototransistor using multilayer MoS2 crystal hybridized with p-type organic semiconducting rubrene patches. Owing to the outstanding photophysical properties of rubrene, the device characteristics such as charge mobility and photoresponsivity were considerably enhanced to an extent depending on the thickness of the rubrene patches. The enhanced photoresponsive conductance was analyzed in terms of the charge results of the nanoscale laser confocal time-resolved PL measurements. transfer doping effect, validated by the microscope photoluminescence （PL） and
基金supported by the Natural Science Foundation of Fujian Province of China (Grant No. A0220001)Science Research Project of Leshan Vocational & Technical College (Grant No. KY2011001)the Key Research Project in Science and Technology of Leshan (Grant No. 2011GZD050)
文摘We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation density, Mulliken popular and optical spectra are considered to show the special electronic structure of boron doped semiconducting graphene nanoribbons. The C-B bond form is discussed in detail. From our analysis it is concluded that the Fermi energy of boron doped semiconducting graphene nanoribbons gets lower than that of intrinsic semiconducting graphene nanoribbons. Our results also show that the boron doped semiconducting graphene nanoribbons behave as p-type semiconducting and that the absorption coefficient of boron doped armchair graphene nanoribbons is generally enhanced between 2.0 eV and 3.3 eV. Therefore, our results have a great significance in developing nano-material for fabricating the nano-photovoltaic devices.
