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How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles
Top. Catal. 2013, 56, 1262-1272. -
Silver Nanoparticles for Olefin Production: New Insights into the Mechanistic Description of Propyne Hydrogenation
ChemCatChem. 2013, 5, 3750-3759. -
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Adsorbate-Induced Oxygen Vacancy Mobility in Ultrathin Oxide Films
J. Phys. Chem. C. 2013, 117, 23806-23811. -
How ligands improve the hydrothermal stability and affect the adsorption in the IRMOF family
Phys. Chem. Chem. Phys. 2013, 15, 17696-17704. -
Strategies to Simultaneously Enhance the Hydrostability and the Alcohol–Water Separation Behavior of Cu-BTC
J. Phys. Chem. C. 2013, 117, 20706-20714. -
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On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study
J. Chem. Phys. 2013, 138, 194706. -
Understanding CeO2 as a Deacon catalyst by probe molecule adsorption and in situ infrared characterisations
Phys. Chem. Chem. Phys. 2013, 15, 3454-3465. -
Interaction mechanisms of ammonia and tin oxide: A combined analysis using single nanowire devices and DFT calculations
J. Phys. Chem. C 2013, 117, 3520-3526.