TY - DATA
T1 - Complete dataset for publication: Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping
PY - 2021/06/03
AU - Qiuhua Liang
AU - Geert Brocks
AU - Anja Bieberle-Hütter
UR - 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
DO - 10.4121/14710647.v1
KW - density functional theory
KW - Oxygen Evolution Reaction
KW - Transition metal doping
KW - ZnO Photoanode
KW - overpotential
N2 - <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>
ER -