Quantum chemistry calculations of La , Ca modified and pure PbTiO\-3 nanocrystals were carried out by means of the cluster model in DFT DVM calculating program on which the regularity of the charge distribution was...Quantum chemistry calculations of La , Ca modified and pure PbTiO\-3 nanocrystals were carried out by means of the cluster model in DFT DVM calculating program on which the regularity of the charge distribution was drawn. The analysis of the density of state(DOS) showed that when the cubic phase PbTiO 3 nanocrystal is changed into tetragonal phase, the interaction among Ti 3d , O 2p , and Pb 6p atomic orbitals causes the dipole moment and spontaneous polarization on the axis of the crystal, which resulted in the appearance of ferroelectric phase. At the same time, the dipole moment and the intensity of the spontaneous polarization were calculated as well.展开更多
以醋酸铅、钛酸丁酯,冰醋酸为原料,采用溶胶-凝胶法制备出纳米钛酸铅粉体,用 X射线粉末衍射、红外、透射电镜、扫描电镜能谱和 X 射线光电子能谱对产物的组成、大小、形貌进行表征;研究了纳米钛酸铅对双基推进剂燃烧性能的影响,并进行...以醋酸铅、钛酸丁酯,冰醋酸为原料,采用溶胶-凝胶法制备出纳米钛酸铅粉体,用 X射线粉末衍射、红外、透射电镜、扫描电镜能谱和 X 射线光电子能谱对产物的组成、大小、形貌进行表征;研究了纳米钛酸铅对双基推进剂燃烧性能的影响,并进行了初步燃烧催化机理实验。结果表明,纳米 PbTiO_3为立方钙钛矿结构,平均粒径约为30nm 左右,应用在双基推进剂中对改善推进剂的燃烧性能有一定的效果。展开更多
The gaseous Pr-penetration is a new method to modify ceramics, which is expected to be a promising method for producing new conductor ceramic materials. The gaseous penetration of Pr into PbTiO_3 ceramics and their im...The gaseous Pr-penetration is a new method to modify ceramics, which is expected to be a promising method for producing new conductor ceramic materials. The gaseous penetration of Pr into PbTiO_3 ceramics and their improved electric properties were reported. Through XRD, EPMA and SEM analysis,it is confirmed that the gaseous penetration makes Pr enter into PbTiO_3 ceramics, and the new compound of Pr_2Ti_2O_7 is formed by the penetration of Pr in the gaseous state. The formed new Pr_2Ti_2O_7-PbTiO_3 ceramic materials have a significant change in electric properties. The room temperature resistivity decreases from 2.0×10^(10) Ω·m to 9.487 Ω·m. The grain resistance and the grain boundary resistance decrease with increase in temperature, and the PTCR effect disappears. The tendency of transition to a conductive body is manifest.展开更多
La2O3 and Ce2O3 were penetrated into PbTiO3 to obtain conductive powders, and then they were mixed with polyurethane and butyl acetate to prepare conductive coatings. The results showed that the electric property of m...La2O3 and Ce2O3 were penetrated into PbTiO3 to obtain conductive powders, and then they were mixed with polyurethane and butyl acetate to prepare conductive coatings. The results showed that the electric property of modified PbTiO3 powders was improved by penetration of La2O3 and Ce2O3. XRD patterns showed that some new compounds such as La2Ti6O15, CeTi21O38 and Pb0.634La0.209Ti0.948O2.284 were formed, which led to the rapid increase of conductivity. The resistivity of modified PbTiO3 powders decreased to 3.88 Ω·m. The coatings using modified PbTiO3 powders as fillings also had a good conductivity. When the PbTiO3 powders were 10% and antisettle agent (bentonite) content was 0.50%, and mass ratio between polyurethane and butyl acetate was 1.05, the surface resistivity of the coatings fell down to 1.3×108 Ω·m. This kind of conductive coatings could be used in electromagnetic shielding.展开更多
The special glass ceramics with ferroelectric main-crystalline phase are very usefullbecause of their good electro-optical effect, excellent high dielectric properties and low therm-al expansion coefficient. This kind...The special glass ceramics with ferroelectric main-crystalline phase are very usefullbecause of their good electro-optical effect, excellent high dielectric properties and low therm-al expansion coefficient. This kind of materials has been noticed since the 1960s. Withthe development of ferroelectric nanocrystallites and fine composite technology nowadays, itis desired to get ferroelectric nanocrystallites with better-controlled size and to prepare newcomposite systems. Overcoming agglomeration among ferroelectric ultrafine grains is nec-essary. So it is important in this field to get the ultrafine PbTiO<sub>3</sub> grains in situ confinedgrown in glass with better controlled size.展开更多
文摘Quantum chemistry calculations of La , Ca modified and pure PbTiO\-3 nanocrystals were carried out by means of the cluster model in DFT DVM calculating program on which the regularity of the charge distribution was drawn. The analysis of the density of state(DOS) showed that when the cubic phase PbTiO 3 nanocrystal is changed into tetragonal phase, the interaction among Ti 3d , O 2p , and Pb 6p atomic orbitals causes the dipole moment and spontaneous polarization on the axis of the crystal, which resulted in the appearance of ferroelectric phase. At the same time, the dipole moment and the intensity of the spontaneous polarization were calculated as well.
文摘The gaseous Pr-penetration is a new method to modify ceramics, which is expected to be a promising method for producing new conductor ceramic materials. The gaseous penetration of Pr into PbTiO_3 ceramics and their improved electric properties were reported. Through XRD, EPMA and SEM analysis,it is confirmed that the gaseous penetration makes Pr enter into PbTiO_3 ceramics, and the new compound of Pr_2Ti_2O_7 is formed by the penetration of Pr in the gaseous state. The formed new Pr_2Ti_2O_7-PbTiO_3 ceramic materials have a significant change in electric properties. The room temperature resistivity decreases from 2.0×10^(10) Ω·m to 9.487 Ω·m. The grain resistance and the grain boundary resistance decrease with increase in temperature, and the PTCR effect disappears. The tendency of transition to a conductive body is manifest.
基金the National Natural Science Foundation of China (20571020)
文摘La2O3 and Ce2O3 were penetrated into PbTiO3 to obtain conductive powders, and then they were mixed with polyurethane and butyl acetate to prepare conductive coatings. The results showed that the electric property of modified PbTiO3 powders was improved by penetration of La2O3 and Ce2O3. XRD patterns showed that some new compounds such as La2Ti6O15, CeTi21O38 and Pb0.634La0.209Ti0.948O2.284 were formed, which led to the rapid increase of conductivity. The resistivity of modified PbTiO3 powders decreased to 3.88 Ω·m. The coatings using modified PbTiO3 powders as fillings also had a good conductivity. When the PbTiO3 powders were 10% and antisettle agent (bentonite) content was 0.50%, and mass ratio between polyurethane and butyl acetate was 1.05, the surface resistivity of the coatings fell down to 1.3×108 Ω·m. This kind of conductive coatings could be used in electromagnetic shielding.
基金Project supported by the National Materials Research Project of 863 High Technology.
文摘The special glass ceramics with ferroelectric main-crystalline phase are very usefullbecause of their good electro-optical effect, excellent high dielectric properties and low therm-al expansion coefficient. This kind of materials has been noticed since the 1960s. Withthe development of ferroelectric nanocrystallites and fine composite technology nowadays, itis desired to get ferroelectric nanocrystallites with better-controlled size and to prepare newcomposite systems. Overcoming agglomeration among ferroelectric ultrafine grains is nec-essary. So it is important in this field to get the ultrafine PbTiO<sub>3</sub> grains in situ confinedgrown in glass with better controlled size.
