Rh(111)上bernal -堆叠双层石墨烯:来自ARPES和DFT的明确证据

IF 3.2 3区 化学 Q2 CHEMISTRY, PHYSICAL
Elena Voloshina, Yuriy Dedkov
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引用次数: 0

摘要

在过去的几年里,由于石墨烯π态在K点附近的电子能谱中有可能调节带隙,在不同衬底上的双层石墨烯(gr)的生长和电子结构引起了人们的广泛关注。在本研究中,采用不同的表面科学方法并辅以DFT计算,研究了Rh(111)上单层和双层石墨烯的电子结构。结果表明,在1 ML-gr/Rh(111)的情况下,由于与金属衬底的强相互作用,石墨烯的独立式电子结构完全被破坏。对于2 ML-gr/Rh(111)体系,发现石墨烯层的AB (Bernal)堆叠,导致顶部石墨烯层的电子结构恢复,其n掺杂,并在K点打开带隙。这些结果使我们对多层石墨烯和金属支架之间的相互作用机制有了更深入的了解,可以用于更好地建模不同的基于石墨烯的应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Bernal-Stacked Bilayer Graphene on Rh(111): Clear Evidence from ARPES and DFT

Bernal-Stacked Bilayer Graphene on Rh(111): Clear Evidence from ARPES and DFT
The growth and electronic structure of bilayer graphene (gr) on different substrates have attracted a lot of attention in the last years owing to the possibility of tuning the band gap in the electronic spectrum for the graphene π states around the K point. In the present study, the electronic structure of single- and double-layer graphene on Rh(111) is studied using different surface science methods accompanied by DFT calculations. It is shown that in the case of 1 ML-gr/Rh(111), the freestanding-like electronic structure of graphene is completely destroyed due to the strong interaction with the metallic substrate. For the 2 ML-gr/Rh(111) system, the AB (Bernal) stacking of graphene layers is found, leading to the restoration of the electronic structure for the top graphene layer, its n-doping, and opening of the band gap at the K point. These results lead to a deep understanding of the interaction mechanisms between multilayer graphene and metallic supports that can be used for better modeling of different graphene-based applications.
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来源期刊
The Journal of Physical Chemistry C
The Journal of Physical Chemistry C 化学-材料科学:综合
CiteScore
6.50
自引率
8.10%
发文量
2047
审稿时长
1.8 months
期刊介绍: The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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