from 2022- 2023
This package includes all scripts and main data for plotting major figures in the manuscript.
"Atomic-level tuning of single-atom catalyst for selective electrocatalytic chlorine evolution reaction "
Seokhyun Choung, Yechan Lee, Heejae Yang , Hyeokjoon June, Seok Kim , Kangwoo Cho and Jeong Woo Han*
The scripts are written in Jupyter Notebook.
Software: VASP 5.4.4; DFT functional: PBE