This database contains: 

DFT outputs from the GPAW program (e.g. 2H+0Hspectators_Cu111_4x3/IS/IS_k441). 

Electrostatic potentials averaged over x,y used to extract workfunctions (e.g. 2H+0Hspectators_Cu111_4x3/IS/avPOT.dat). 

CI-NEB and fixed height reaction pathways (e.g. 2H+2Hspectators_Cu111_4x3/NEB/path_final.traj).

Python scripts to repreduce the manuscript figures (e.g. Fig2a.py). The python scripts require numpy, matplotlib, and the ASE (https://wiki.fysik.dtu.dk/ase/) python package.

