This data set contains the experimental and simulation data for the manuscript. This includes SERS spectra and data, XPS data, and simulations. All files are given in .txt. Please see the read me file for further information how the repository is organized.We acknowledge support from the European Research Council (ERC) under Horizon 2020 research and innovation programme THOR (Grant Agreement No. 829067), PICOFORCE (Grant Agreement No. 883703) and POSEIDON (Grant Agreement No. 861950). We acknowledge funding from the EPSRC (Cambridge NanoDTC EP/L015978/1, EP/L027151/1). N.S.M. acknowledges support from the German National Academy of Sciences Leopoldina. R.A. acknowledges support from the Rutherford Foundation of the Royal Society Te Apārangi of New Zealand, the Winton Programme for the Physics of Sustainability, and Trinity College, University of Cambridge. L.A.J. acknowledges support from the Cambridge Commonwealth,European & International Trust and EPSRC award 2275079. We acknowledge use of the Cambridge XPS System, part of Sir Henry Royce Institute - Cambridge Equipment, EPSRC grant EP/P024947/1
