2026-10-14T21:49:22Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33778816 2026-09-15T08:30:53Z portal_1197 item_type_3 month_year_09_2026

Data for Electronic structure of graphene on copper substrates Peter Brommer (1619815) Alexander J. Marsden (1350000) Natalie C. Teutsch (11777300) Pavel Dudin (1901347) Gavin R. Bell (12432655) Neil R. Wilson (1300776) David Quigley (1367631) Graphene -- Electric properties Copper Copper foil Migrated from ePrints 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.<br><br>Folder names, descriptions and usage in figures are provided in the data manifest 2019-04-16T00:00:00Z Dataset Dataset 10.82444/warw.33778816.v1 https://figshare.com/articles/dataset/Data_for_Electronic_structure_of_graphene_on_copper_substrates/33778816 CC BY 4.0