Electronic properties of single and arranged organic molecules on semiconductor surfaces

半导体表面上单个和排列有机分子的电子特性

• 批准号: 16310070
• 负责人: YOSHINOBU Jun
• 金额: $ 10.11万
• 依托单位: The University of Tokyo
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2004
• 资助国家: 日本
• 起止时间: 2004 至 2005
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-16310070/
• 关键词: silicon; surface; organic molecule; electron energy loss spectroscopy; scanning tunneling microscopy; first principles calculation; adsorption; interface; X線吸収分光; X線発光分光; STM; 光電子分光

We investigated adsorbed states and electronic structures of organic molecules on the Si(100) surface experimentally and theoretically. Obtained results are summarized as follows.(1)We found out the regioselective cycloaddition reaction between asymmetric alkene molecules and the asymmetric dimer on Si(100)c(4x2) using low temperature STM. The first principles calculations have elucidated the reaction mechanism.(2)Photo induced reaction and desorption were investigated for the π-complex type weakly adsorbed ethylene on Si(100)c(4x2).(3)Adsorbed states of 1,4-cyclohexadiene were investigated as a function of adsorption temperature. Three different adsorbed states were found out using STM. The STS measurements of room-temperature adsorbed species (probably a table type species) were performed.(4)The electronic states of interface at SiO_2/Si(111) were directly probed by means of soft-X ray emission spectroscopy using SPring8. The site-specific electronic states are elucidated for the first time.(5)In the framework of the first principles calculation, the electronic states of organic molecules on Si(100) under electric bias were investigated. Energy shifts of molecular orbitals depend on the height and the strength of electric field.(6)We have constructed an apparatus including a fine electron gun which can be used for electron induced surface reaction in order to fabricate sub μm artificial structures. We demonstrated the electron-induced iron deposition from Fe(CO_)5 multilayer on Si(100).

从实验和理论上研究了有机分子在Si（100）表面的吸附态和电子结构。所得结果总结如下。(1)采用低温STM技术，研究了不对称烯烃分子与不对称二聚体在Si(100)c（4x2）上的区域选择性环加成反应。第一性原理计算阐明了反应机理。(2)研究了Si(100)c（4x2）上弱吸附的π配合物型乙烯的光诱导反应和解吸。(3)研究了吸附温度对1,4-环己二烯吸附状态的影响。用STM法发现了三种不同的吸附状态。进行了室温吸附物种（可能是表型物种）的STS测量。(4)利用SPring8软x射线发射光谱直接探测了SiO_2/Si（111）界面的电子态。首次阐明了特定位点的电子态。(5)在第一性原理计算的框架下，研究了硅（100）表面有机分子在电偏压作用下的电子态。分子轨道的能量转移取决于电场的高度和强度。(6)我们构建了一个包含精细电子枪的装置，该装置可用于电子诱导表面反应，以制备亚μm的人工结构。我们证明了Fe(CO_)5多层膜在Si（100）上的电子诱导铁沉积。

项目成果

Regioselective cycloaddition reaction of alkene molecules to the asymmetric dimer on Si(100)c(4x2)

烯烃分子与 Si(100)c(4x2) 上不对称二聚体的区域选择性环加成反应

• 发表时间: 2007
• 期刊: J. Am. Chem. Soc. 129
• 作者: Kazuhiro Oguchi;Masashi Nagao;Hirobumi Umeyama;Tetsuo Katayama;Yoshiyuki Yamashita;Kozo Mukai;Jun Yoshinobu;Kazuto Akagi;Shinji Tsuneyuki
• 通讯作者: Shinji Tsuneyuki