{"title":"Bernal-Stacked Bilayer Graphene on Rh(111): Clear Evidence from ARPES and DFT","authors":"Elena Voloshina, Yuriy Dedkov","doi":"10.1021/acs.jpcc.4c07658","DOIUrl":null,"url":null,"abstract":"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 <i>K</i> 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 <i>n</i>-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.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"93 1","pages":""},"PeriodicalIF":3.3000,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry C","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpcc.4c07658","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
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.
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.