水热法制备氧化锌及其导电性能分析-preparation of zinc oxide by hydrothermal method and analysis of its electrical conductivity.docxVIP

目录第一章前言..................................................................................................................11.1导电粉...............................................................................................................11.1.1导电粉的分类........................................................................................11.1.2导电粉体需具备的性能要求................................................................21.1.3导电粉的国内外研究现状....................................................................31.2氧化锌..............................................................................................................31.2.1氧化锌的结构和性质.............................................................................31.2.2氧化锌的制备方法.................................................................................41.2.2.1固相法.........................................................................................41.2.2.2共沉淀法.....................................................................................51.2.2.3喷雾热解法.................................................................................61.2.2.4水热法.........................................................................................61.2.3氧化锌的掺杂.........................................................................................71.2.3.1ZnO的能带结构71.2.3.2掺杂对电导率的影响.................................................................81.2.3.3氧化锌的n型和p型掺杂91.3掺杂氧化锌的第一性原理计算....................................................................101.3.1第一性原理计算..................................................................................101.3.2电子密度泛函理论..............................................................................111.3.3广义梯度近似和局域密度近似..........................................................111.3.4CASTEP介绍121.3.5Ga掺杂ZnO第一性原理计算思路121.4本论文的研究意义及研究内容....................................................................121.4.1研究意义..............................................................................................