A first-principles study was reported based on density functional theory of hydrogen vacancy,metal dopants,metal dopant-vacancy complex in LiBH4,a promising material for hydrogen storage.The formation of H vacancy and...A first-principles study was reported based on density functional theory of hydrogen vacancy,metal dopants,metal dopant-vacancy complex in LiBH4,a promising material for hydrogen storage.The formation of H vacancy and metal doping in LiBH4 is difficult,and their concentrations are low.The presence of one kind of defect is helpful to the formation of other kind of defect.Based on the analysis of electronic structure,the improvement of the dehydrogenating kinetics of LiBH4 by metal catalysts is due to the weaker bonding of B—H and the new metal-like system,which makes H atom diffuse easily;H vacancy accounts for a trace amount of BH3 release during the decomposing process of LiBH4;metal dopant weakens the strength of B—H bonds,which reduces the dehydriding temperature of LiBH4.The roles of metal and vacancy in the metal dopant-vacancy complex can be added in LiBH4 system.展开更多
Phosphorus was diffused into CVT grown undoped ZnO bulk single crystals at 550 and 800℃ in a closed quartz tube. The P-diffused ZnO single crystals were characterized by the Hall effect, X-ray photoelectron spectrosc...Phosphorus was diffused into CVT grown undoped ZnO bulk single crystals at 550 and 800℃ in a closed quartz tube. The P-diffused ZnO single crystals were characterized by the Hall effect, X-ray photoelectron spectroscopy (XPS), photoluminescence spectroscopy (PL), and Raman scattering. The P-diffused ZnO single crystals are n-type and have higher free electron concentration than undoped ZnO, especially for the sample diffused at 800℃. The PL measurement reveals defect related visible broad emissions in the range of 420-550nm in the P-diffused ZnO samples. The XPS result suggests that most of the P atoms substitute in the Zn site after they diffuse into the ZnO single crystal at 550℃ ,while the P atom seems to occupy the O site in the ZnO samples diffused at 800℃. A high concentration of shallow donor defect forms in the P-diffused ZnO,resulting in an apparent increase of free electron concentration.展开更多
The microstructure of diamond films was studied by slow positron beam and Raman spectroscopy. For the Raman spectroscopy experiment on diamond films, a high fraction of the sp3 hybridized bond was detected in samples....The microstructure of diamond films was studied by slow positron beam and Raman spectroscopy. For the Raman spectroscopy experiment on diamond films, a high fraction of the sp3 hybridized bond was detected in samples. Positron annihilation spectra analysis further illuminated that the concentration and types of defects were different in each sample. S-E curves of all samples showed that diamond crystal structures had obvious variation in each sample. These results indicated that positron annihilation spectroscopy was an effective means to measure microstructure of diamond films.展开更多
The whole chemical etching process on a P-type polycrystalline silicon substrate with resistivity 1-2Ω·cm is described. The formation mechanism of porous polycrystalline silicon(PPS) microstructure was investi...The whole chemical etching process on a P-type polycrystalline silicon substrate with resistivity 1-2Ω·cm is described. The formation mechanism of porous polycrystalline silicon(PPS) microstructure was investigated. Those how the initial pits were formed and an uniform morphology of PPS was obtained are explained. Two types of etching mechanism were characterized as defect control reaction and diffusion control reaction. The morphology formed after the isotropic acidic solution etching with different etching time and HF/HNO3 concentration was compared with the effect of the same etching process after anisotropic alkaline etching. The study showed that the thickness of porous polycrystalline silicon layer with chemical acidic etching entirely depended on the existence of various types of defects.展开更多
In order to reduce noise effectively in the welding defect image and preserve the minutiae information, a noise reduction method of welding defect image based on nonsubsampled contourlet transform(NSCT) and anisotropi...In order to reduce noise effectively in the welding defect image and preserve the minutiae information, a noise reduction method of welding defect image based on nonsubsampled contourlet transform(NSCT) and anisotropic diffusion is proposed. Firstly, an X-ray welding defect image is decomposed by NSCT. Then total variation(TV) model and Catte_PM model are used for the obtained low-pass component and band-pass components, respectively. Finally, the denoised image is synthesized by inverse NSCT. Experimental results show that, compared with the hybrid method of wavelet threshold shrinkage with TV diffusion, the method combining NSCT with P_Laplace diffusion, and the method combining contourlet with TV model and adaptive contrast diffusion, the proposed method has a great improvement in the aspects of subjective visual effect, peak signal-to-noise ratio(PSNR) and mean-square error(MSE). Noise is suppressed more effectively and the minutiae information is preserved better in the image.展开更多
基金Project (2009AA05Z105) supported by the High-tech Research and Development Program of ChinaProject (20102173) supported by the Natural Science Foundation of Liaoning Province,China
文摘A first-principles study was reported based on density functional theory of hydrogen vacancy,metal dopants,metal dopant-vacancy complex in LiBH4,a promising material for hydrogen storage.The formation of H vacancy and metal doping in LiBH4 is difficult,and their concentrations are low.The presence of one kind of defect is helpful to the formation of other kind of defect.Based on the analysis of electronic structure,the improvement of the dehydrogenating kinetics of LiBH4 by metal catalysts is due to the weaker bonding of B—H and the new metal-like system,which makes H atom diffuse easily;H vacancy accounts for a trace amount of BH3 release during the decomposing process of LiBH4;metal dopant weakens the strength of B—H bonds,which reduces the dehydriding temperature of LiBH4.The roles of metal and vacancy in the metal dopant-vacancy complex can be added in LiBH4 system.
基金the National Natural Science Foundation of China(No.60736032)~~
文摘Phosphorus was diffused into CVT grown undoped ZnO bulk single crystals at 550 and 800℃ in a closed quartz tube. The P-diffused ZnO single crystals were characterized by the Hall effect, X-ray photoelectron spectroscopy (XPS), photoluminescence spectroscopy (PL), and Raman scattering. The P-diffused ZnO single crystals are n-type and have higher free electron concentration than undoped ZnO, especially for the sample diffused at 800℃. The PL measurement reveals defect related visible broad emissions in the range of 420-550nm in the P-diffused ZnO samples. The XPS result suggests that most of the P atoms substitute in the Zn site after they diffuse into the ZnO single crystal at 550℃ ,while the P atom seems to occupy the O site in the ZnO samples diffused at 800℃. A high concentration of shallow donor defect forms in the P-diffused ZnO,resulting in an apparent increase of free electron concentration.
基金V. ACKN0WLEDGMENT This work was supported by the National Natural Science Foundation of China (No.10425072) and the National High Technology Research and Development Program of China (2003AA84ts18).
文摘The microstructure of diamond films was studied by slow positron beam and Raman spectroscopy. For the Raman spectroscopy experiment on diamond films, a high fraction of the sp3 hybridized bond was detected in samples. Positron annihilation spectra analysis further illuminated that the concentration and types of defects were different in each sample. S-E curves of all samples showed that diamond crystal structures had obvious variation in each sample. These results indicated that positron annihilation spectroscopy was an effective means to measure microstructure of diamond films.
基金Key Projects of S & T Department for Henan Province(0424210016)
文摘The whole chemical etching process on a P-type polycrystalline silicon substrate with resistivity 1-2Ω·cm is described. The formation mechanism of porous polycrystalline silicon(PPS) microstructure was investigated. Those how the initial pits were formed and an uniform morphology of PPS was obtained are explained. Two types of etching mechanism were characterized as defect control reaction and diffusion control reaction. The morphology formed after the isotropic acidic solution etching with different etching time and HF/HNO3 concentration was compared with the effect of the same etching process after anisotropic alkaline etching. The study showed that the thickness of porous polycrystalline silicon layer with chemical acidic etching entirely depended on the existence of various types of defects.
基金Supported by the National Natural Science Foundation of China(No.60872065)Open Foundation of State Key Laboratory of Advanced Welding and Connection,Harbin Institute of Technology(AWPT-M04)Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘In order to reduce noise effectively in the welding defect image and preserve the minutiae information, a noise reduction method of welding defect image based on nonsubsampled contourlet transform(NSCT) and anisotropic diffusion is proposed. Firstly, an X-ray welding defect image is decomposed by NSCT. Then total variation(TV) model and Catte_PM model are used for the obtained low-pass component and band-pass components, respectively. Finally, the denoised image is synthesized by inverse NSCT. Experimental results show that, compared with the hybrid method of wavelet threshold shrinkage with TV diffusion, the method combining NSCT with P_Laplace diffusion, and the method combining contourlet with TV model and adaptive contrast diffusion, the proposed method has a great improvement in the aspects of subjective visual effect, peak signal-to-noise ratio(PSNR) and mean-square error(MSE). Noise is suppressed more effectively and the minutiae information is preserved better in the image.