Archive · dataset · 2014
Supporting data for: A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides
Listed in Zenodo
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.
Description
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.
Links
Get the data
- rutile-OER-v1.0.zip zenodo.org/api/records/12635/files/rutile-OER-v1.0.zip/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/12635 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.12635 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/12635 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Density functional theory 65% · Transition metal chemistry 78%
Provenance · 1 source records, 10 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 12635 | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · Zenodo | connector:zenodo@1.0.0 | /metadata/access_right |
| byte_size | source · Zenodo | connector:zenodo@1.0.0 | |
| concepts[field].anzsrc:field:340211 | enrichment · Zenodo | taxonomy-embedding@1.1.0 | title+keywords+description (78%) |
| concepts[method].local:method:dft | enrichment · Zenodo | keyword-concept-rules@1.0.0 | title+description (65%) |
| created_date | source · Zenodo | connector:zenodo@1.0.0 | |
| description | source · Zenodo | connector:zenodo@1.0.0 | /metadata/description |
| license_text | source · Zenodo | connector:zenodo@1.0.0 | |
| publication_date | source · Zenodo | connector:zenodo@1.0.0 | |
| title | source · Zenodo | connector:zenodo@1.0.0 | /metadata/title |
| updated_date | source · Zenodo | connector:zenodo@1.0.0 |