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Data for Electronic structure of graphene on copper substrates
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Brommer, Peter, Marsden, Alexander J., Teutsch, Natalie C., Dudin, Pavel, Bell, Gavin R., Wilson, Neil R. and Quigley, David (2019) Data for Electronic structure of graphene on copper substrates. [Dataset] (Submitted)
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C_on_Cu_data.zip - Submitted Version Available under License Creative Commons Attribution 4.0. Download (108Mb) |
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C_on_Cu_data.tar.bz2 - Submitted Version Available under License Creative Commons Attribution 4.0. Download (99Mb) |
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Other (Data manifest)
116296 data.ods - Submitted Version Available under License Creative Commons Attribution 4.0. Download (4Kb) |
Official URL: http://wrap.warwick.ac.uk/116296
Abstract
Graphene growth by chemical vapour deposition (CVD) on copper foil has emerged as one of the most promising routes for large-scale production of high-quality graphene films. The electronic properties of this system can be examined directly using angle resolved photo-emission spectroscopy (ARPES). However, a direct computational study of the band structure is complicated by constraints on periodicity imposed by the simulation methods, which require large simulation cells. In this work, we present effective band structures of graphene on Cu(111) and Cu(100) surfaces obtained by band structure unfolding techniques. This allows a direct comparison with ARPES experiments. While our calculations confirm previous results of considerable n doping (0.30 eV) of graphene on Cu(111), we find significantly smaller modification of the graphene band structure on Cu(100). ARPES spectra of graphene on predominantly (100) oriented copper foil show good agreement with the calculated band structure. This demonstrates the importance of local crystallography on metal-graphene contacts. We also show that graphene doping on Cu(100) strongly depends on Cu–C separation and thus is sensitive to first-principles modelling choices.
Item Type: | Dataset | ||||||||||||
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Subjects: | Q Science > QD Chemistry T Technology > TA Engineering (General). Civil engineering (General) |
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Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering Faculty of Science, Engineering and Medicine > Science > Physics Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing |
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Type of Data: | Experimental data | ||||||||||||
Library of Congress Subject Headings (LCSH): | Graphene -- Electric properties, Copper, Copper foil | ||||||||||||
Publisher: | University of Warwick, School of Engineering | ||||||||||||
Official Date: | 16 April 2019 | ||||||||||||
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Status: | Not Peer Reviewed | ||||||||||||
Publication Status: | Submitted | ||||||||||||
Media of Output (format): | .ods .cell .bib .param .out .awk . bz2 | ||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||
Copyright Holders: | University of Warwick | ||||||||||||
Description: | Folder names, descriptions and usage in figures are provided in the data manifest |
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