Complete dataset for publication: Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping
datasetposted on 03.06.2021, 15:36 by Qiuhua LiangQiuhua Liang, Geert Brocks, Vivek Sinha, Anja Bieberle-Hütter
The files for computing the Figures are in the surface and subsurface files. All the figures can be directly from Replication_pacakage > Figures> Dataset.opj.
Any relevant input files or listing of parameter settings are included in the four files in VASP_code_for_generating_Figures > surface/subsurface > INCAR, KPOINTS, POSCAR, POTCAR are the necessary files when submitting to VASP 5.4.1.