论文标题
在Cu上存在靛蓝分子的情况下，通过STM隧道电子的表面空位产生（111）
Surface Vacancy Generation by STM Tunneling Electrons in the Presence of Indigo Molecules on Cu(111)
论文作者
论文摘要
本文中，我们侵入局部电压脉冲对Cu（111）表面以及分子下方的原子结构的吸附状态的后果。使用扫描隧道显微镜，在5 K处，完整的分子成像为两个分子的电子密度，分子的电子密度对应于分子的每个吲哚密度，它们通过碳双键连接。然后，将两个短的连续电压脉冲放在分子上方的尖端，会产生不可逆的修饰，如连续扫描隧道显微镜（STM）成像所揭示的那样。与STM图像计算相连的密度功能理论计算表明，在靛蓝分子的氧原子下方的铜表面原子的双层空位作为最合理的情况。这些提取的铜原子被靛蓝氧稳定为ADATOM，将每个铜adatom氧化至0.32电子。
Herein, we invesgate the consequence of local voltage pulses on the adsorption state of single indigo molecules on the Cu(111) surface as well as on the atomic structure underneath the molecule. With a scanning tunneling microscope, at 5 K, intact molecules are imaged as two lobes corresponding to the electron density of each indoxyl moiety of the molecule which are connected by a carbon double bond. Then, two short successive voltage pulses with the tip placed above the molecule generate irreversible modifications, as revealed by consecutive scanning tunneling microscopy (STM) imaging. Density-functional theory calculations coupled to STM image calculations indicate the creation of a double surface vacancy of copper surface atoms below the oxygen atom of the indigo molecule as the most plausible scenario. These extracted copper atoms are stabilized as adatoms by the indigo oxygens, oxidizing each copper adatom to 0.32 electron.
