摘要
文章运用Untitled-MS Modeling中的CASTEP计算方法计算了掺锑二氧化锡(ATO)的电子云分布、键长分布、总能量、能带结构、晶体态密度等参数,并和二氧化锡(SnO2)进行对比,从而得出结论掺杂锑后的二氧化锡具有更好的导电性能。
In the paper, the electronic cloud distribution, bond length distribution, total energy, energy band structure, crystal state density of the antimony doped tin oxide (ATO) and the stannic oxide (SnO2) were calculated by using the CASTEP/Untitled - MS Modeling. Through the comparison of calculated results, draws the conclusion that ATO has better electric conductivity.
出处
《广东化工》
CAS
2014年第3期7-8,共2页
Guangdong Chemical Industry
关键词
掺锑二氧化锡
能带结构
态密度分布曲线
导电性
antimony doped tin oxide: electronic band structure: the density ofstates distribution curve: electricalconductivity