Sub-molecular spectroscopy and temporary molecular charging of Ni-phthalocyanine on graphene with STM†,Physical Chemistry Chemical Physics

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Sub-molecular spectroscopy and temporary molecular charging of Ni-phthalocyanine on graphene with STM†
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-07-05 00:00:00 , DOI: 10.1039/c8cp02113a
Mali Zhao _{1,

2,

3,

4,

5} , Faisal Almarzouqi _{1,

2,

3,

4,

5} , Eric Duverger _{6,

7,

8,

9,

10} , Philippe Sonnet _{10,

11,

12,

13,

14} , Gérald Dujardin _{1,

2,

3,

4,

5} , Andrew J. Mayne _{1,

2,

3,

4,

5}

Affiliation

In this study, the self-assembled molecular network and electronic properties of Ni-phthalocyanine (NiPc) molecules on monolayer graphene (MLG)/6H-SiC(0001) were studied by room temperature Scanning Tunnelling Microscopy (STM) and Density Functional Theory (DFT) calculations. In this study, a very weak electronic coupling between the graphene and the NiPc molecules is found. This is due to the very small charge transfer of only 0.035e⁻ per molecule. The weak molecule–graphene interaction has two observable consequences: sub-molecular resolution was obtained in the STM spectroscopy at room-temperature with the molecules adsorbed directly on the graphene, and the occupied and unoccupied molecular resonance peaks were observed to shift their position in energy as a function of the tip–surface distance. This is due to the temporary local charging (either positive or negative) that is achieved by decreasing the surface voltage under the STM tip. This may have important consequences for future studies of the opto-electronic properties of such hybrid graphene–molecule systems.

中文翻译：

使用STM †的石墨烯上的亚分子光谱学和Ni-酞菁的临时分子电荷

在这项研究中，通过室温扫描隧道显微镜（STM）和密度泛函理论（DL）研究了单层石墨烯（MLG）/ 6H-SiC（0001）上Ni-酞菁（NiPc）分子的自组装分子网络和电子性质。 DFT）计算。在这项研究中，发现石墨烯和NiPc分子之间的电子耦合非常弱。这是由于只有0.035的非常小的电荷转移ë ^-每个分子。分子与石墨烯之间的弱相互作用有两个可观察到的结果：室温下，在STM光谱中获得亚分子分辨率，分子直接吸附在石墨烯上，观察到占据和未占据的分子共振峰改变了它们在能量中的位置作为尖端-表面距离的函数。这是由于通过降低STM针尖下的表面电压实现的临时局部充电（正或负）。这可能对此类杂化石墨烯-分子系统的光电性能的未来研究产生重要影响。

更新日期：2018-07-05

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