First-principle study on optical properties of N-La-codoped anatase TiO

The electronic structures, deformation charge density, dipole moment, and optical properties of N-La-codoped anatase titanium dioxide (TiO2) are studied using the plane-wave ultrasoft pseudopotential method based on the density functional theory (DFT). The optical properties of two-ion-doped TiO2 are analyzed via electronic structures, deformation charge density, and dipole moment. For the model of N-La-doped TiO2 , a smaller atom fraction of N and La atoms induces better optical properties. The absorption edges of two doped TiO2 models redshift to the visible-light region.     

载荷对氟硅共掺杂类金刚石膜摩擦学性能的影响

采用等离子体增强化学气相沉积系统成功制备氟硅共掺杂类金刚石薄膜,采用Raman,XPS对膜层结构与成分进行表征.采用划痕仪对膜层的结合力进行了测试.摩擦测试结果显示,在载荷范围为1~6 N时,膜层具有低摩擦系数(0.05~0.1);在载荷大于6 N时,摩擦系数在0.2~0.27之间.对偶磨斑的光学照片显示,在低载下(1~6 N),磨斑上存在明显的转移膜,转移膜导致膜层具有低摩擦系数;在高载下,磨合期磨斑上存在稳定的转移膜,对应于磨合期的低摩擦系数.然而在磨合期后,磨斑表面转移膜消失,结果导致高摩擦系数.