Data · dataset · 2026
DFT Dataset: Mechanistic Insights into Zn-Promoted $CO{_2}$ Electroreduction on α-CuZn Alloys in Aprotic Media
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.35097/849z87g5vsqt795j
CO and \ce{CO2} adsorption dataset containing optimized geometries, adsorption energies, and grand-canonical chemical potentials for CO and \ce{CO2} on Cu and Cu₃Zn surfaces.
Description
All calculations were performed using VASPsol under applied surface charges to simulate electrochemical conditions.
Links
Where it is published
- DOI doi.org/10.35097/849z87g5vsqt795j ↗
DOI / persistent id · from radar service eu de
Catalogue records · 1
- OAI-PMH record radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=oai_dc&identifier… ↗
metadata API · from radar service eu de
Topics
- From keywords
- Earth & Environmental Science · Earth & Environmental Science · Engineering · Engineering
- Inferred from text
- Density functional theory 65% · Resources engineering and extractive metallurgy 73%
Provenance · 2 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.35097/849z87g5vsqt795j | 11 d ago | JSON v1 |
| RADAR4Memory | 10.35097/849z87g5vsqt795j | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].anzsrc:group:4019 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (73%) |
| concepts[field].local:field:earth-environmental | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:engineering | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:engineering | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[method].local:method:dft | enrichment · radar service eu de | keyword-concept-rules@1.0.0 | title+description (65%) |
| description | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/description |
| license | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/rights |
| publication_date | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| title | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/title |