A first-principles energy band calculation was performed for V-doped ZrO2, (M,V)-doped ZrO2 (M = Al, Y, La) supercells, and pure ZrO2 unit cells to elucidate the effects of M doping on the electronic ...structure and optical properties of a V-doped ZrO2 pigment. Structural optimization calculations revealed that the calculated lattice constants of ZrO2 agreed well with those obtained from experimental data. Using a generalized gradient approximation calculation, the minimum bandgap was estimated to be 3.67 eV. Density of states calculations indicated that the valence band (VB) was mainly composed of O 2p states mixed with Zr 4d states. The conduction band (CB) was mainly composed of Zr 4d states with small O 2p character. For V-doped ZrO2, three minority-spin and four majority-spin localized states newly appeared in the bulk ZrO2 bandgap. They were mainly derived from V 3d states. The addition of a second element, M, to V-doped ZrO2 changed the energy position and peak number of the localized V 3d states in the bandgap. This change was most pronounced for La, which has the largest ionic radius of all M. Based on the dielectric function calculation of the V-doped ZrO2 supercell, there was a broad absorption from the O 2p VB states to the V 3d gap states occurring from the ligand–metal charge transfer (LMCT) and dd transition of V4+ ions, as well as a VB–CB optical transition in the ZrO2 bulk. Furthermore, when an M atom was added to the V-doped ZrO2 supercell, the optical absorption by the LMCT was considerably enhanced in the visible region. Based on these calculations, which supplement the research on common inorganic dyes, we conclude that the addition of a second element, M, is effective in enhancing the chromogenicity of the Zr-yellow pigment.
碩士
國立聯合大學
光電工程學系碩士班
104
In this thesis, we use carbon black (CB) as counter electrodes (CEs) to replace the conventional platinum (Pt) electrodes in dye sensitized solar cells (DSSCs), and optimums ...the fabrication process in further. The thesis is divided into three parts: (1) the optimization of CB CEs with various concentrations, (2) the optimization of CB (3M) by pre-annealing CB powder, (3) the optimization of pre-annealing CB CEs by using non-working area spin coating method.
First, in order to investigate the influence of molecular stacking to the electrical properties of CB CEs, we fabricate CB CEs with various concentrations. The optimization device with CB (5M) with proper fabrication conditions shows the device efficiency of 7.55 %, with the strong enhancement of the short-circuit current (Jsc) and the fill factor (FF). Next, we further improve the electrical properties of CB by pre-annealing CB powder under 600 oC to purify CB and increase the catalyst ability of CB molecules. The molecular stackin
The effect of the gene polymorphism for the key enzyme's folacin metabolism pathway on plasmatic homocysteine (Hcy) levels in fertile woman was observed.
The subjects were from Shaoxing City, Jiangsu ...province in 2012, the selection criteria for the women of childbearing age were between 20-45 years old, with an average age of 28.2 (95%CI:27.8-28.6) years old. Sample collection continued uninterrupted lasted seven days, a total of 535 samples were collected, venous blood with EDTA addition or sodium citrate to anticoagulant. After separation, the blood cells and blood plasma were cryopreserved. DNA was extracted using spin column method. All the samples were selected for the gene polymorphism testing of the key enzyme's on folate metabolism and monitoring of plasmatic Hcy level.
Eight single nucleotide polymorphism (SNP) sites of methylenetetrahydrofolate reductase gene (MTHFR) , methionine synthase gene (MS) , synthetic methionine reductase gene (MSR) and cystathionine β synthase gene (CBS) were detected. It
碩士
國立臺北科技大學
有機高分子研究所
96
When the insulating polymers mixed with conductive material, like metal powder, graphite, carbon black(CB), carbon nanotubes(CNTs), which can improve the conductivity ...property. In the filler of conductive material, among the available fillers, CB has been used extensively because of the relative advantages of technology, low cost, and high conductivity properties. In this investigate to use conductive material is nano carbon black(VXC72), but carbon black due to aggregation behavior, account for the difficult in the industry like spinning when carbon black agglomerate too large which make the spin pack of sieve to choke and then can not spinning favorably, the spinning process must to stop. To obtain a well dispersed carbon black matrix, a high-temperature-endurable dispersant and a special two-screw extruder are two crucial issues. In this investigate, we used the copolymer which contain sulfonate(SO3-) and solubility in the water. Due to the dispersant has high-temperature-endurable
碩士
國立臺北科技大學
光電工程系
107
In this study, the perovskite FAPbX3 quantum dots was prepared by using the ultrasonic oscillation method to prepare quantum dot solution. It is mainly to synthesize FAPbX3 ...Perovskite Quantum Dots (QD-FAPbBr2I, FAPbBr1.5I1.5, FAPbBrI2) by a simple method to calculate the equivalent powder, and then dope n-octylamine, oleic acid to make QD better. The exciton binding energy, surface morphology and stability, the color part is brown-red, can get higher wavelength light after excitation.
In order to make the perovskite quantum dot solution more widely used, we tried to prepare a thin film of QD-FAPbX3 quantum dot solution by spin coating, and it can be used as an active layer on the light emitting diode element. The preparation of the film through the purification process, the synthesis of the ligand (oleic acid) is removed, the purified QD-FAPbX3 powder as Chlorobenzene (CB) as a dispersion solvent, coated in the device structure is Glass/ITO/PEDOT: PSS/PVK/QD-FAPbX3/PVK /TPBi/Ag light-emi
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