原子与分子物理学报2013，Vol.30Issue(1)：9-13,5.DOI:10.3969/j.issn.1000-0364.2013.01.002
一氧化硅电致激发光谱理论研究
Study onelectroluminescence of SiO radical
摘要
Abstract
The present work is devoted to the study on absorption spectra properties, such as transition wavelengths and oscillator strengths, of the lowest ten singlet excited states for SiO radical by employing time-dependent density functional theory, TDDFT/TD-B3P86 with basis set 6-311+ +g (d, p) level. At the same time, the effects of different external electric fields on the transition spectra of excited states for SiO radical are explored according to the atomic and molecular theories. The transition wavelength peaks of the lowest five singlet excited states for SiO radical have the trend to visible light region. The investigation will play an important theoretical guidance role on the study and development of a novel high-efficiency luminescence material which can emit light with various wavelengths in range of visible light controlled by external electric fields.关键词
SiO/电致发光/激发态/含时密度泛函Key words
SiO/electroluminescence/excited state/TDDFT分类
数理科学引用本文复制引用
徐国亮,朱正和,袁伟,郭雁,韩梦媛,吴苗,刘雪平,刘梦楠,吕文静,孙金锋..一氧化硅电致激发光谱理论研究[J].原子与分子物理学报,2013,30(1):9-13,5.基金项目
河南省基础与前沿技术研究计划项目(122300410109) （122300410109）
河南省高校青年骨干教师资助计划(2009GGJS-044) （2009GGJS-044）
河南省教育厅自然科学研究计划(2010A140006) （2010A140006）
河南师范大学国家级科研项目培育基金(2010PL02) （2010PL02）
河南师范大学"大学生创新性实验计划"项目(2010017) （2010017）
