Published November 10, 2014
| Version v1
Dataset
Open
Supporting data for: A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides
Creators
- 1. Carnegie Mellon University
- 2. Technical University of Denmark
Description
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
rutile-OER-v1.0.zip
Files
(572.4 MB)
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