A novel technology of in-situ coating Al2O3 on the surface of H4TiO4 was developed to prevent the aggregation of nano-TiO2 powders and improve the dispersibility and thermal stability in the way of forming a uniform c...A novel technology of in-situ coating Al2O3 on the surface of H4TiO4 was developed to prevent the aggregation of nano-TiO2 powders and improve the dispersibility and thermal stability in the way of forming a uniform coating layer. The heterogeneous nucleation was conducted to prepare the precursor of nano-TiO2 and then Al2O3 was coated on the surface of precursor. The effects of Al2O3 in-situ coating on the properties of nano-TiO2 were investigated. The results show that H4 TiO4 can be dispersed well under alkaline condition （pH 8. 5） and the heterogeneous nucleation can be controlled easily. The optimized uniform coating layer is obtained by adding 5 % （mass fraction ） and 10% of Al2O3 and the aggregation of nano-TiO2 powders is effectively inhibited and the dispersibility is obviously improved. The crystal sizes of TiO2 powders are 12.3, 11.4 and 8. 7 nm after coating 0, 5% and 10% of Al2O3 respectively. Al2O3 on the surface of particulates in amorphous phase could increase the thermal stability of nano-partieles after calcined at 550℃.展开更多
Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based o...Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based on the density functional theory. The calculated results of heat of formation indicate that AI2Y phase has the strongest alloying ability. The calculated thermodynamic properties show that the thermal stability of these compounds gradually increases in the order ofMgl7Al12, A12Y and Al4Ba phases. Y or Ba addition to the Mg-Al alloys could improve the heat resistance. The calculated bulk modulus B, shear modulus G, elastic modulus E and Poisson ratio v show that the adding Y or Ba to Mg-Al alloys could promote the brittleness and stiffness, and reduce tenacity and plasticity by forming Al4Ba and Al2Y phases. The calculated cohesive energy and density of state （DOS） show that Al2Y has the strongest structural stability, then AlaBa and finally Mg17Al12. The calculated electronic structures show that Al2Y has the strongest structure stability because of the strong ionic bonds and covalent bonds combined action.展开更多
文摘A novel technology of in-situ coating Al2O3 on the surface of H4TiO4 was developed to prevent the aggregation of nano-TiO2 powders and improve the dispersibility and thermal stability in the way of forming a uniform coating layer. The heterogeneous nucleation was conducted to prepare the precursor of nano-TiO2 and then Al2O3 was coated on the surface of precursor. The effects of Al2O3 in-situ coating on the properties of nano-TiO2 were investigated. The results show that H4 TiO4 can be dispersed well under alkaline condition （pH 8. 5） and the heterogeneous nucleation can be controlled easily. The optimized uniform coating layer is obtained by adding 5 % （mass fraction ） and 10% of Al2O3 and the aggregation of nano-TiO2 powders is effectively inhibited and the dispersibility is obviously improved. The crystal sizes of TiO2 powders are 12.3, 11.4 and 8. 7 nm after coating 0, 5% and 10% of Al2O3 respectively. Al2O3 on the surface of particulates in amorphous phase could increase the thermal stability of nano-partieles after calcined at 550℃.
基金Project(2011DFA50520) supported by the International Cooperation of Ministry of Science and Technology of ChinaProject(50975263) supported by the National Natural Science Foundation of ChinaProject(2010-78) supported by the Shanxi Provincial Foundation for Returned Scholars,China
文摘Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based on the density functional theory. The calculated results of heat of formation indicate that AI2Y phase has the strongest alloying ability. The calculated thermodynamic properties show that the thermal stability of these compounds gradually increases in the order ofMgl7Al12, A12Y and Al4Ba phases. Y or Ba addition to the Mg-Al alloys could improve the heat resistance. The calculated bulk modulus B, shear modulus G, elastic modulus E and Poisson ratio v show that the adding Y or Ba to Mg-Al alloys could promote the brittleness and stiffness, and reduce tenacity and plasticity by forming Al4Ba and Al2Y phases. The calculated cohesive energy and density of state （DOS） show that Al2Y has the strongest structural stability, then AlaBa and finally Mg17Al12. The calculated electronic structures show that Al2Y has the strongest structure stability because of the strong ionic bonds and covalent bonds combined action.
