Data · dataset · 2016
Carbon Monoxide on TiO2 anatase nanoparticles: IR spectra and backdonation effects
Listed in DataCite
supporting data for the article: " On the simple complexity of CO on oxide surfaces: facet-specific donation and backdonation effects revealed on TiO2 anatase nanoparticles" published in:ChemPhysChem (2016)doi:10.1002/cphc.201600284 Detailed content of the file:1.
Description
Experimental methods and results1.1 Materials1.2 XRD 1.3 TEM1.4 IR spectroscopy 2. Modeling2.1 Computational methods2.2 Analysis of the electronic structure of CO@TiO2(110) and CO@TiO2(101) 2.2.1 Electronic density of states 2.2.2.
Bonding charge density 2.2.3. Validation of the electronic structure calculations Further material is available at the links below. Green open access of the paper:figshare.com/articles/Carbon_Monoxide_on_Oxide_Surfaces_Facet-Specific_Donation_and_Backdonation_Effects_on_TiO2_Anatase_Nanoparticles/4788940 blog post explaining this research:yourmoleculardreams.wordpress.com/2016/07/25/tio2_co_bond/ popular summary:goo.gl/4PZ7vx infographic:figshare.com/articles/TiO2_nanoparticles_surfaces_binding_of_carbon_monoxide_explained/3464075 slides presentation:figshare.com/articles/titanium_dioxide_nanoparticles_the_importance_of_shape_and_exposed_facets_in_surface-molecule_interactions/4056189
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/Carbon_Monoxide_on_TiO2_anatase_nanoparticles… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.3428198 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.3428198 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.3428198 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Chemical sciences · Nanotechnology · Physical sciences
Related
Provenance · 1 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.3428198 | 12 d ago | JSON v1 |
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