Complete dataset for publication: Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping

The files for computing the Figures are in the surface and subsurface files. All the figures can be directly from Replication_pacakage &gt; Figures&gt; Dataset.opj.<br>Any relevant input files or listing of parameter settings are included in the four files in VASP_code_for_generating_Figures &gt; surface/subsurface &gt; INCAR, KPOINTS, POSCAR, POTCAR are the necessary files when submitting to VASP 5.4.1.

用于生成各插图的计算文件存放于surface（表面）与subsurface（亚表面）文件夹内。
所有插图均可直接从Replication_pacakage（复现包）> Figures目录下的Dataset.opj文件中获取。
所有相关输入文件及参数设置列表均包含于VASP_code_for_generating_Figures下surface/subsurface目录中的四个文件内：在向VASP 5.4.1版本提交计算任务时，INCAR、KPOINTS、POSCAR及POTCAR为必需的输入文件。