Dataset Open Access

Supporting data for: A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides

Zhongnan Xu; Jan Rossmeisl; John R. Kitchin

This directory contains all of the finished calculations required for fully analysis of the paper "A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides" by Zhongnan Xu, Jan Rossmeisl, and John R Kitchin. To use this repository, download the supporting information file and run the scripts present in either 'supporting-information.pdf' or 'supporting-information.org'.

The is the release of the supporting data before the first submission to the first journal.

Files (572.4 MB)
Name Size
rutile-OER-v1.0.zip
md5:e193c56cf17c6d98827bbb19752d04b3
572.4 MB Download
63
8
views
downloads
All versions This version
Views 6363
Downloads 88
Data volume 4.6 GB4.6 GB
Unique views 6363
Unique downloads 88

Share

Cite as