On-surface Synthesis of a Semiconducting 2D Metal-Organic Framework Cu3 (C6 O6 ) Exhibiting Dispersive Electronic Bands.,Angewandte Chemie International Edition

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On-surface Synthesis of a Semiconducting 2D Metal-Organic Framework Cu3 (C6 O6 ) Exhibiting Dispersive Electronic Bands.
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2020-01-16 , DOI: 10.1002/anie.201913698
Ran Zhang ₁ , Jing Liu ₁ , Yifan Gao _{1,

2} , Muqing Hua ₁ , Bowen Xia _{1,

2} , Peter Knecht ₃ , Anthoula C Papageorgiou ₃ , Joachim Reichert ₃ , Johannes V Barth ₃ , Hu Xu ₂ , Li Huang ₂ , Nian Lin ₁

Affiliation

A 2D metal-organic framework (2D-MOF) was formed on a Cu(111) substrate using benzenehexol molecules. By means of a combination of scanning tunneling microscopy and spectroscopy, X-ray photoelectron spectroscopy and density-functional theory, the structure of the 2D-MOF is determined to be Cu3 (C6 O6 ), which is stabilized by O-Cu-O bonding motifs. We find that upon adsorption on Cu(111), the 2D-MOF features a semiconductor band structure with a direct band gap of 1.5 eV. The O-Cu-O bonds offer efficient charge delocalization, which gives rise to a highly dispersive conduction band with an effective mass of 0.45 me at the band bottom, implying a high electron mobility in this material.

中文翻译：

具有分散电子带的半导体二维金属有机骨架Cu3（C6 O6）的表面合成。

使用苯己醇分子在Cu（111）基板上形成了二维金属有机骨架（2D-MOF）。结合扫描隧道显微镜和光谱学，X射线光电子能谱和密度泛函理论，确定了二维MOF的结构为Cu3（C6 O6），并通过O-Cu-O键稳定了该结构。图案。我们发现，在Cu（111）上吸附后，二维MOF的特征是具有1.5 eV的直接带隙的半导体带结构。O-Cu-O键可提供有效的电荷离域作用，从而产生高度分散的导带，其能带底部的有效质量为0.45 me，这意味着该材料中的电子迁移率较高。

更新日期：2020-01-16

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