Pure mesoporous ZrO2 thin film with two-dimensional hexagonal framework mesostructure has been successfully prepared by using a nonionic triblock copolymer as the structure-directing agent and ZrCl4 as the zirconi...Pure mesoporous ZrO2 thin film with two-dimensional hexagonal framework mesostructure has been successfully prepared by using a nonionic triblock copolymer as the structure-directing agent and ZrCl4 as the zirconia source through evaporation-induced self-assembly approach. The resulting materials were characterized by X-ray diffraction, scanning electron microscope, and nitrogen adsorption measurements. The obtained mesoporous ZrO2 thin film has a nanocrystalline inorganic framework (tetragonal zirconia) and narrowly distributed mesopore size (67 nm in diameter).展开更多
The moment method in statistical (SMM) dynamics is used to study the thermodynamic quantities of ZrO2 thin films taking into account the anharmonicity effects of the lattice vibrations. The average lattice constant, t...The moment method in statistical (SMM) dynamics is used to study the thermodynamic quantities of ZrO2 thin films taking into account the anharmonicity effects of the lattice vibrations. The average lattice constant, thermal expansion coefficient and specific heats at the constant volume of ZrO2 thin films are calculated as a function of temperature, pressure and thickness of thin film. SMM calculations are performed using the Buckingham potential for the ZrO2 thin films. In the present study, the influence of temperature, pressure and the size on the thermodynamic quantities of ZrO2 thin film have been studied using three different interatomic potentials. We discuss temperature and thickness dependences of some thermodynamic quantities of ZrO2 thin films and we compare our calculated results with those of the experimental results.展开更多
文摘Pure mesoporous ZrO2 thin film with two-dimensional hexagonal framework mesostructure has been successfully prepared by using a nonionic triblock copolymer as the structure-directing agent and ZrCl4 as the zirconia source through evaporation-induced self-assembly approach. The resulting materials were characterized by X-ray diffraction, scanning electron microscope, and nitrogen adsorption measurements. The obtained mesoporous ZrO2 thin film has a nanocrystalline inorganic framework (tetragonal zirconia) and narrowly distributed mesopore size (67 nm in diameter).
文摘The moment method in statistical (SMM) dynamics is used to study the thermodynamic quantities of ZrO2 thin films taking into account the anharmonicity effects of the lattice vibrations. The average lattice constant, thermal expansion coefficient and specific heats at the constant volume of ZrO2 thin films are calculated as a function of temperature, pressure and thickness of thin film. SMM calculations are performed using the Buckingham potential for the ZrO2 thin films. In the present study, the influence of temperature, pressure and the size on the thermodynamic quantities of ZrO2 thin film have been studied using three different interatomic potentials. We discuss temperature and thickness dependences of some thermodynamic quantities of ZrO2 thin films and we compare our calculated results with those of the experimental results.
