Carbon Monoxide on TiO2 anatase nanoparticles: IR spectra and backdonation effects

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.201600284Detailed content of the file:1.Experimental methods and results1.1Materials1.2XRD 1.3TEM1.4IR spectroscopy2.Modeling2.1Computational methods2.2Analysis 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 calculationsFurther material is available at the links below.Green open access of the paper:https://figshare.com/articles/Carbon_Monoxide_on_Oxide_Surfaces_Facet-Specific_Donation_and_Backdonation_Effects_on_TiO2_Anatase_Nanoparticles/4788940blog post explaining this research:https://yourmoleculardreams.wordpress.com/2016/07/25/tio2_co_bond/popular summary:https://goo.gl/4PZ7vxinfographic:https://figshare.com/articles/TiO2_nanoparticles_surfaces_binding_of_carbon_monoxide_explained/3464075slides presentation:https://figshare.com/articles/titanium_dioxide_nanoparticles_the_importance_of_shape_and_exposed_facets_in_surface-molecule_interactions/4056189