Dispersive Electronic States of the π-Orbitals Stacking in Single Molecular Lines on the Si(001)-(2×1)-H Surface.
Dispersive Electronic States of the π-Orbitals Stacking in Single Molecular Lines on the Si(001)-(2×1)-H Surface.
复制标题
Si(001)-(2×1)-H 表面上单分子线中 π 轨道堆积的色散电子态。
DOI：
10.1021/jz400389k
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发表时间：
2013
影响因子：
4.4
通讯作者：
S. Kamakura
中科院分区：
文献类型：
--
作者：
山中秀介;奥村光隆;吉井範行;S. Kamakura
一维（1D）分子组装体被认为是有机电子学中小型化电子电路的潜在候选者之一。本文对Si（001）-（2×1）-H表面一维二苯甲酮分子组装体的色散电子特性进行了定量的实验测量。分别用扫描隧道显微镜（STM）和角分辨紫外光电子能谱（ARUPS）观察到了排列良好的分子线及其一定的电子态分散。密度泛函理论（DFT）计算不仅再现了实验STM图像，而且还再现了分子组装中源自堆叠苯基π轨道的色散特征。我们得到了空穴载流子沿着色散电子态的有效质量为2.0m，这与有机电子应用中广泛使用的单晶分子的有效质量相当。这些结果确保了一维离域电子态的分子线，这是requisitely要求的电荷传输线。
One-dimensional (1D) molecular assemblies have been considered as one of the potential candidates for miniaturized electronic circuits in organic electronics. Here, we present the quantitative experimental measurements of the dispersive electronic feature of 1D benzophenone molecular assemblies on the Si(001)-(2×1)-H. The well-aligned molecular lines and their certain electronic state dispersion were observed by scanning tunneling microscopy (STM) and angle-resolved ultraviolet photoemission spectroscopy (ARUPS), respectively. Density functional theory (DFT) calculations reproduced not only the experimental STM image but also the dispersive features that originated from the stacking phenyl π-orbitals in the molecular assembly. We obtained the effective mass of 2.0mefor the hole carrier along the dispersive electronic state, which was comparable to those of the single-crystal molecules widely used in organic electronic applications. These results ensure the one-dimensionally delocalized electronic states in the molecular lines, which is requisitely demanded for a charge-transport wire.