Chemical Characterization of a Three-Dimensional Double-Decker Molecule on a Surface via Scanning-Tunneling-Microscopy-Based Tip-Enhanced Raman Spectroscopy
Chemical Characterization of a Three-Dimensional Double-Decker Molecule on a Surface via Scanning-Tunneling-Microscopy-Based Tip-Enhanced Raman Spectroscopy
复制标题
通过基于扫描隧道显微镜的尖端增强拉曼光谱对表面上的三维双层分子进行化学表征
DOI：
10.1021/acs.jpcc.2c01434
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Jiang, Nan
中科院分区：
文献类型：
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作者：
Mahapatra, Sayantan;Schultz, Jeremy F.;Li, Linfei;Zhang, Xu;Jiang, Nan
三维双层结构单元（例如二茂铁或二茂铁基分子）由于其内置的自旋和电荷功能而在分子自旋电子学中具有巨大的前景。然而，尽管前景令人兴奋，但这些分子的化学表征却很少。在此，我们使用扫描隧道显微镜（STM）和非共振尖端增强拉曼光谱（TERS）研究了1,1'-二茂铁二甲酸（FcDCA，C12H10FeO4）在Cu（100）表面上的自组织。实验结果由密度泛函理论 [DFT 和时间相关 (TDDFT)] 计算进行补充。实验和理论分析相结合，提供了 FcDCA 在单分子水平上的完整化学表征，以及羧酸 (−COOH) 基团的化学功能。这里的结果为双层有机分子提供了重要的化学见解，这对于下一代电子器件的器件制造至关重要。
Three-dimensional double-decker building blocks (e.g., ferrocene or ferrocene-based molecules) hold great promise in molecular spintronics due to their built-in spin and charge functionality. However, despite this exciting prospect, chemical characterization of these molecules is rare. Herein, we investigate the self-organization of 1,1′-ferrocene dicarboxylic acid (FcDCA, C12H10FeO4) on the Cu(100) surface using scanning tunneling microscopy (STM) and nonresonance tip-enhanced Raman spectroscopy (TERS). The experimental results are supplemented with density functional theory [DFT and time-dependent (TDDFT)] calculations. The combination of experimental and theoretical analyses provides the complete chemical characterization of FcDCA at the single-molecule level, as well as the chemical functionality of the carboxylic acid (−COOH) groups. The results here provide important chemical insight into double-decker organic molecules which is essential for device fabrication in next-generation electronics.