The geometries of the molecules of eight organic additives were optimized and the net charge,E HOMO andE LUMO were obtained using AM method, respectively. The result shows that there is the correlation between the lev...The geometries of the molecules of eight organic additives were optimized and the net charge,E HOMO andE LUMO were obtained using AM method, respectively. The result shows that there is the correlation between the leveling property and the frontier orbital energy levels of these additives, and the adsorption models and leveling mechanics were discussed. The rule between the frontier orbital energy levels and the leveling property is verified by the experiments.展开更多
The mechanical properties of materials greatly depend on the microstructure morphology. The quantitative characterization of material microstructures is essential for the performance prediction and hence the material ...The mechanical properties of materials greatly depend on the microstructure morphology. The quantitative characterization of material microstructures is essential for the performance prediction and hence the material design. At present,the quantitative characterization methods mainly rely on the microstructure characterization of shape, size, distribution,and volume fraction, which related to the mechanical properties. These traditional methods have been applied for several decades and the subjectivity of human factors induces unavoidable errors. In this paper, we try to bypass the traditional operations and identify the relationship between the microstructures and the material properties by the texture of image itself directly. The statistical approach is based on gray level Co-occurrence matrix（GLCM）, allowing an objective and repeatable study on material microstructures. We first present how to identify GLCM with the optimal parameters, and then apply the method on three systems with different microstructures. The results show that GLCM can reveal the interface information and microstructures complexity with less human impact. Naturally, there is a good correlation between GLCM and the mechanical properties.展开更多
The perylene diimide derivatives（s-THBPDI and d-THBPDI） bearing oxygen bridged twisty heptatomic biphenyl in the bay positions of the perylene core through acetylene bond were designed and synthesized.The photophysi...The perylene diimide derivatives（s-THBPDI and d-THBPDI） bearing oxygen bridged twisty heptatomic biphenyl in the bay positions of the perylene core through acetylene bond were designed and synthesized.The photophysical properties of the functionalized dyes were investigated in solution and solid state by UV-vis and photoluminescence（PL） spectra.Their UV-vis and PL spectrum both exhibited the different concentration-dependent behaviors due to the difference of chemical structure.Moreover,cyclic voltammetry results indicated that the introduction of oxygen bridged twisted heptatomic biphenyl could decrease the LUMO energy level of the perylene diimide effectively and made it promising material in photoelectric devices.展开更多
基金The National Natural Science Foundation of China(59331030)
文摘The geometries of the molecules of eight organic additives were optimized and the net charge,E HOMO andE LUMO were obtained using AM method, respectively. The result shows that there is the correlation between the leveling property and the frontier orbital energy levels of these additives, and the adsorption models and leveling mechanics were discussed. The rule between the frontier orbital energy levels and the leveling property is verified by the experiments.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.5147113 and 51505037)the Fundamental Research Funds for the Central Universities of Ministry of Education of China(Grant Nos.3102017zy029,310832163402,and 310832163403)
文摘The mechanical properties of materials greatly depend on the microstructure morphology. The quantitative characterization of material microstructures is essential for the performance prediction and hence the material design. At present,the quantitative characterization methods mainly rely on the microstructure characterization of shape, size, distribution,and volume fraction, which related to the mechanical properties. These traditional methods have been applied for several decades and the subjectivity of human factors induces unavoidable errors. In this paper, we try to bypass the traditional operations and identify the relationship between the microstructures and the material properties by the texture of image itself directly. The statistical approach is based on gray level Co-occurrence matrix（GLCM）, allowing an objective and repeatable study on material microstructures. We first present how to identify GLCM with the optimal parameters, and then apply the method on three systems with different microstructures. The results show that GLCM can reveal the interface information and microstructures complexity with less human impact. Naturally, there is a good correlation between GLCM and the mechanical properties.
基金supported by the National Natural Science Foundation of China (Nos: 51173155,51472214)the Colleges and Universities Science and Technology Research Project of Hebei Province (No.QN20131070)
文摘The perylene diimide derivatives（s-THBPDI and d-THBPDI） bearing oxygen bridged twisty heptatomic biphenyl in the bay positions of the perylene core through acetylene bond were designed and synthesized.The photophysical properties of the functionalized dyes were investigated in solution and solid state by UV-vis and photoluminescence（PL） spectra.Their UV-vis and PL spectrum both exhibited the different concentration-dependent behaviors due to the difference of chemical structure.Moreover,cyclic voltammetry results indicated that the introduction of oxygen bridged twisted heptatomic biphenyl could decrease the LUMO energy level of the perylene diimide effectively and made it promising material in photoelectric devices.
