cphc201600284.pdf (966.51 kB)
Carbon Monoxide on Oxide Surfaces: Facet-Specific Donation and Backdonation Effects on TiO2 Anatase Nanoparticles
journal contribution
posted on 2017-03-27, 00:31 authored by gloria tabacchigloria tabacchi, Chiara Deiana, Gianmario Martra, Francesco Pellegrino, Stéphanie Narbey, Ettore FoisGreen open access version of the paper:
On the Simple Complexity of Carbon Monoxide on Oxide Surfaces: Facet-Specific Donation and Backdonation Effects Revealed on TiO2 Anatase Nanoparticles
Published in:
ChemPhysChem 2016, 17, 1956-1960. DOI: 10.1002/cphc.201600284
which should be cited to refer to this work.
Related material can be found at the links below (REFERENCES)
Link to the VoR:
Supporting data:
https://figshare.com/articles/Carbon_Monoxide_on_TiO2_anatase_nanoparticles_IR_spectra_and_donation-backdonation_effects/3428198
blog post explaining this research:
https://yourmoleculardreams.blog/2016/07/25/tio2_co_bond/
popular summary of the paper: https://goo.gl/4PZ7vx
slides presentation:
https://figshare.com/articles/titanium_dioxide_nanoparticles_the_importance_of_shape_and_exposed_facets_in_surface-molecule_interactions/4056189
Infographics:
https://figshare.com/articles/TiO2_nanoparticles_surfaces_binding_of_carbon_monoxide_explained/3464075
High-resolution figures:
https://figshare.com/articles/Carbon_Monoxide_adsorbed_on_the_TiO2_anatase_101_and_110_facets/3436766
additional images:
https://figshare.com/articles/Binding_of_CO_on_TiO2_nanoparticles/3437654
Funding
FAR Insubria 2014 FP7. Grant Number: 604577
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- Inorganic materials (incl. nanomaterials)
- Macromolecular materials
- Structure and dynamics of materials
- Other chemical sciences not elsewhere classified
- Chemical thermodynamics and energetics
- Colloid and surface chemistry
- Computational chemistry
- Inorganic chemistry not elsewhere classified
- Atomic and molecular physics
- Physical chemistry not elsewhere classified
- Physical properties of materials
- Theoretical quantum chemistry
- Solid state chemistry
- Macromolecular and materials chemistry not elsewhere classified
- Theoretical and computational chemistry not elsewhere classified
- Theory and design of materials
- Transition metal chemistry
- Applications in physical sciences
- Condensed matter modelling and density functional theory
- Condensed matter physics not elsewhere classified
- Structural properties of condensed matter
- Surface properties of condensed matter
- Nanomaterials
- Nanoscale characterisation
- Nanotechnology not elsewhere classified
Keywords
TiO2titanium dioxidenanoparticlesnanomaterialsnanocatalystphotocatalysisphotocatalysttransition metal oxidestransition metal oxide nanoparticle surfacessurface chemistrytransition metal oxide nanoparticlesInfrared spectroscopyIR spectroscopyFTIRdensity functional theoryDFT calculationssimulation and modelingchemical sciencesmaterials sciencenanoparticle characterizationcomputational modelssurface sciencetitaniaChemical Characterisation of MaterialsChemical Sciences not elsewhere classifiedChemical Thermodynamics and EnergeticsColloid and Surface ChemistryComputational ChemistryInorganic ChemistryInorganic Chemistry not elsewhere classifiedMolecular PhysicsPhysical Chemistry not elsewhere classifiedPhysical Chemistry of MaterialsQuantum ChemistrySolid State ChemistrySynthesis of MaterialsTheoretical and Computational Chemistry not elsewhere classifiedTheory and Design of MaterialsTransition Metal ChemistryComputational PhysicsCondensed Matter Modelling and Density Functional TheoryCondensed Matter PhysicsCondensed Matter Physics not elsewhere classifiedSurfaces and Structural Properties of Condensed MatterNanomaterialsNanoscale CharacterisationNanotechnology not elsewhere classified
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