%0 Generic
%A Liang, Qiuhua
%A Brocks, Geert
%A Bieberle-Hütter, Anja
%D 2021
%T Complete dataset for publication: Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping
%U https://data.4tu.nl/articles/dataset/Complete_dataset_for_publication_Tailoring_the_performance_of_ZnO_for_oxygen_evolution_by_effective_transition_metal_doping/14710647/1
%R 10.4121/14710647.v1
%K density functional theory
%K Oxygen Evolution Reaction
%K Transition metal doping
%K ZnO Photoanode
%K overpotential
%X <div>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.</div><div><br></div><div>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. </div>
%I 4TU.ResearchData