Properties of Fluorene Derivatives:DFT Investigation

摘要：

　　Fluorene derivatives are typical semiconductor materials.The electronic structures of Fluorene derivatives were successfully investigated by density functions theory (DFT).Furthermore,the HOMO and LUMO energy levels will be changed owing to the introduction of some aliphatic chains in the fluorene.So through theoretical investigation of electronic structure and molecule orbit by the DFT method,the variational UV-vis absorption spectra of fluorene derivatives due to variational levels were explained.

关键词： fluorene derivatives DFT HOMO, LUMO absorption

作者: Bowei Chen Guangjun Chang Lin Zhang

作者单位: School of Physics and Elcetronic Engineering, Mianyang Normal University, Mianyang 621000,China;Rese School of Physics and Elcetronic Engineering, Mianyang Normal University, Mianyang 621000,China

会议类型: 国际会议

会议名称: 2012 2nd international Conference on Materials Science and Information Technology(2012第二届材料科学与信息技术国际会议)(MSIT2012)

会议地点: 西安

会议语种:英文

页码: 97-100

在线出版日期: 2012-08-24（万方平台首次上网日期，不代表论文的发表时间）