Dataset for 'Casimir-like effect driven self-assembly of graphene on molten metals'

Individual files used for Figures 1-3 and Figures S1-S14 are assembled in the folders, including scripts for image processing that were used and analytical modelling in Python. Contains also selected data obtained from DFT calculations which are presented in the paper. The DFT dataset contains final structures (CONTCAR format), the output files and some post-processing data for metal and hydrogenated graphene flakes with the size ranging from 2x2 to 5x5 on Au(111) and Cu(111) substrate. Folders */03_gr contain the output data for the graphene / Au(111),Cu(111) interface.  

folders dos/, static_layer/, static_substrate/: 	static calculations with increased precision for the Metal/Graphene interface, the graphene layer and the metallic substrate, respectively.
folders chgdiff/:					folders containing charge transfer analysis performed on the charge density difference between the Metal/Graphene interface and separated Graphene and substrate systems.

The files include:
.tiff files (scanning electron microscopy images)

_Raman.txt (spectra from Raman measurements)
.txt files were exported with the relevant heading from the original software (Witec) 

_SPM.txt (SPM images)
these data were exported to Ascii table, where rows/columns serve as pixel identification and the value represents the image intensity. Each file contains 4 images - forward and backward scanning, phase and error.

files ACF.dat, BCF.dat, AVF.dat:	data acquired from the bader charge analysis
XYdensity.dat:						planar-averaged charge density differences visualized in CuGr.pdf and AuGr.pdf
int_chg.dat:						amount of bader charge and number of atoms within the given radius from the center of the graphene flake, generated by bader_molCharge_int.py.
plot_dist.py:						python scripts for generating charge distribution plots presented in the paper