Vibrational and Electronic Properties of Functionalized Diamondoids

功能化金刚石的振动和电子特性

• 批准号: 166524379
• 负责人: Professorin Dr. Janina Maultzsch
• 金额: --
• 依托单位: Institut für Festkörperphysik
• 依托单位国家: 德国
• 项目类别: Research Units
• 财政年份: 2010
• 资助国家: 德国
• 起止时间: 2009-12-31 至 2016-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/166524379?language=en
• 关键词: Vibrational; Electronic; Properties; Functionalized; Diamondoids

In a combined experimental and theoretical project we are planning to investigate the structural, optical, and vibrational properties of doped diamondoids, Si clusters, and grapheme by resonance Raman scattering and density functional theory (DFT) calculations. The following questions will be addressed: In diamondoids we are planning to study the effects of functionalization on the structural and optical properties. We intend to identify the geometric and electronic structure and the optical properties of metal-doped Si clusters in the gas phase and/or when deposited onto a substrate. In doped graphene, we will exploit the particularly high sensitivity of Raman scattering to changes in the electronic band structure near the Fermi level in order to study charge transfer from metal clusters to the carbon system. Our goal is to obtain a coherent picture of the nanostructure properties and to understand how they can be modified in a defined way. Our work will be done in close collaboration with the groups performing fluorescence and X-ray absorption experiments and density functional theory.

在一个实验和理论相结合的项目中，我们计划通过共振拉曼散射和密度泛函理论（DFT）计算来研究掺杂金刚石、硅团簇和石墨烯的结构、光学和振动性质。以下问题将得到解决：在金刚石，我们正计划研究功能化的结构和光学性质的影响。我们打算确定的几何和电子结构和光学性质的金属掺杂的Si团簇在气相中和/或沉积到衬底上时。在掺杂石墨烯中，我们将利用拉曼散射对费米能级附近电子能带结构变化的特别高的灵敏度，以研究从金属簇到碳系统的电荷转移。我们的目标是获得纳米结构特性的连贯图像，并了解如何以定义的方式对其进行修改。我们的工作将与进行荧光和X射线吸收实验和密度泛函理论的小组密切合作。

项目成果

UV resonance Raman analysis of trishomocubane and diamondoid dimers.

三甲基立方烷和类金刚石二聚体的紫外共振拉曼分析

• DOI: 10.1063/1.4861758
• 发表时间: 2014
• 期刊: The Journal of chemical physics
• 作者: R. Meinke;R. Richter;A. Merli;A.A. Fokin;T.V. Koso;V.N. Rodionov;P.R. Schreiner;C. Thomsen;J. Maultzsch
• 通讯作者: J. Maultzsch

Raman spectroscopy of nondispersive intermediate frequency modes and their overtones in carbon nanotubes

碳纳米管中非色散中频模式及其泛音的拉曼光谱

• DOI: 10.1002/pssb.201552513
• 发表时间: 2015
• 期刊: physica status solidi (b)
• 作者: C. Tyborski;F. Herziger;J. Maultzsch
• 通讯作者: J. Maultzsch

Electronic and Vibrational Properties of Diamondoid Oligomers

金刚石低聚物的电子和振动特性

• DOI: 10.1021/acs.jpcc.7b07666
• 发表时间: 2017
• 期刊: Journal of Physical Chemistry C
• 影响因子: 3.7
• 作者: C. Tyborski;R. Gillen;A.A. Fokin;T.V. Koso;H. Hausmann;N.A. Fokina;V.N. Rodionov;P.R. Schreiner;C. Thomsen;J. Maultzsch
• 通讯作者: J. Maultzsch

Experimental and theoretical Raman analysis of functionalized diamantane

功能化金刚烷的实验和理论拉曼分析

• DOI: 10.1088/0953-4075/46/2/025101
• 发表时间: 2013
• 期刊: Journal of Physics B: Atomic, Molecular and Optical Physics
• 作者: R. Meinke;R. Richter;T. Möller;B.A. Tkachenko;P.R. Schreiner;C. Thomsen;J. Maultzsch
• 通讯作者: J. Maultzsch

From isolated diamondoids to a van-der-Waals crystal: A theoretical and experimental analysis of a trishomocubane and a diamantane dimer in the gas and solid phase.

从孤立的金刚烷到范德瓦尔斯晶体：气相和固相中三溴立方烷和金刚烷二聚体的理论和实验分析

• DOI: 10.1063/1.4994898
• 发表时间: 2017
• 期刊: The Journal of chemical physics
• 作者: C. Tyborski;R. Meinke;R. Gillen;T. Bischoff;A. Knecht;T. Rander;R. Richter;A. Merli;A.A. Fokin;T.V. Koso;V.N. Rodionov;P. R. Schreiner;T. Möller;C. Thomsen;J. Maultzsch
• 通讯作者: J. Maultzsch