Carbon Monoxide on TiO2 anatase nanoparticles: IR spectra and donation-backdonation effects
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https://figshare.com/articles/dataset/Carbon_Monoxide_on_TiO2_anatase_nanoparticles_IR_spectra_and_donation-backdonation_effects/3428198/1
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supporting data for the article: "<i>On the simple complexity of CO on oxide surfaces: facet-specific donation and backdonation effects revealed on TiO2 anatase nanoparticles"</i><br>published in:ChemPhysChem (2016)doi:10.1002/cphc.201600284<br>Detailed content of the file:1. Experimental methods and results1.1 Materials1.2 XRD 1.3 TEM1.4 IR spectroscopy<br>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 <br><br>
提供机构：
figshare
创建时间：
2016-06-14
