Structure · dataset · 2024
Data for "Robust nanocomposites of α-Fe2O3 and N-doped graphene oxide: Interfacial bonding and chemisorption of H2O"
Listed in Teesside University Research Data Repository
Relaxed structures of GO with epoxy groups (GO.cif), graphitic nitrogen (GO-graphiticN.cif), and three pyridinic nitrogen surrounding a carbon vacancy (GO-pyridinicN.cif) from Figure 1 in the manuscript.
Description
Relaxed structure of the α-Fe2O3 (0 0 0 1) (Fe2O3-0001.cif) from Figure 2 in the manuscript. Relaxed structure of the Fe2O3-GO composite (Fe2O3-GO.cif), with graphitic N-doping (Fe2O3-GO-graphiticN.cif) and with pyridinic N-doping (Fe2O3-GO-pyridinicN.cif) from Figure 3 in the manuscript.
Relaxed structures of chemisorbed H2O on the composites with different hydroxide sites (ortho, meta, para) as noted in Table 3 in the manuscript for the different composites. The additional configurations shown in Figure 6 in the manuscript are denoted 2.
Links
Where it is published
- DOI doi.org/10.17632/7pdftfr7yp.2 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Composite and hybrid materials · Earth & Environmental Science
- Inferred from text
- Tabular 65%
Provenance · 1 source records, 7 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/7pdftfr7yp.2 | 17 h ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:field:401602 | mapping · researchdata tees ac uk | vocabulary-mapper@1.0.0 | keywords['Composite Materials'] |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[modality].local:modality:tabular | enrichment · researchdata tees ac uk | keyword-concept-rules@1.0.0 | title+description (65%) |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license_text | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |