Electronic and Optical Properties of Doped Titanium Dioxide

二氧化钛，由于其高折射率，被广泛用作白色颜料，仅次于金刚石。金红石颜料颗粒在长时间暴露在阳光下会变黄，这是颜料制造商想要克服的一个严重问题。有人提出，铝掺杂金红石通过改变金红石粒子的电子结构来限制这种变色。该项目旨在确定黄化过程的具体电子原因，Al缺陷的性质，它对金红石电子结构的影响，以及当使用其他掺杂剂时可能发生的电子扰动。

Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify the specific electronic cause of the yellowing process, the nature of the Al defect,it's effect on the electronic structure of rutile, and the electronic perturbations that may occur when other dopants are used.