The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
doi: 10.4121/14710647

Liang, Qiuhua; Brocks, Geert; Bieberle-Hütter, Anja (2021): Complete dataset for publication: Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/14710647.v1

Dataset

• Physical Chemistry (incl. Structural)

density functional theory, overpotential, Oxygen Evolution Reaction, Transition metal doping, ZnO Photoanode

CC0

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

by Qiuhua Liang , Geert Brocks , 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.

• 2021-06-03 first online, published, posted

4TU.ResearchData

Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping

• China Scholarship Council
• M-ERA.NET

DIFFER, Dutch Institute for Fundamental Energy Research;
Eindhoven University of Technology, Department of Applied Physics, Materials Simulation and Modeling (MSM).