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NH3 sensing with self-assembled ZnO-nanowire μHP sensors in isothermal and temperature-pulsed mode
Sensors and Actuators B: Chemical 2016, 226, 110-117.
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A Database of the Structural and Electronic Properties of Prussian Blue, Prussian White, and Berlin Green Compounds through Density Functional Theory
Inorg. Chem. 2016, 55 (24), 12851–12862. DOI: 10.1021/acs.inorgchem.6b02200.
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Catalyst and Process Design for the Continuous Manufacture of Rare Sugar Alcohols by Epimerization–Hydrogenation of Aldoses
COVER ChemSusChem 2016, DIO: 10.1002/cssc.201600755.
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Site-selectively grown SnO2 NWs networks on micromembranes for efficient ammonia sensing in humid conditions
Sensors and Actuators B: Chemical 2016, 402-409. DOI: 10.1016/j.snb.2016.03.091. -
Formation of Long, Multicenter π-[TCNE]2 2− Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations
Chemistry - A European Journal 2016, 17037-17046. DOI: 10.1002/chem.201603537. -
Performance of DFT+U Approaches in the Study of Catalytic Materials
COVER ACS Catalysis 2016, 8370–8379. -
Reactivity descriptors for ceria in catalysis
Applied Catalysis B: Environmental 2016, 197, 299-312.
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Multigrid-Based Methodology for Implicit Solvation Models in Periodic DFT
J. Chem. Theory Comput. 2016, 12, 1331-1341.
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The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols
ACS Catal. 2016, 6, 4135-4143.
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Glycerol oxidehydration to pyruvaldehyde over silver-based catalysts for improved lactic acid production
Green Chem. 2016, In press DOI: 10.1039/C6GC00894A. -
Interplay between surface chemistry and performance of rutile-type catalysts for halogen production
COVER GO TO OPEN ACCESS Chem. Sci. 2016, 7, 2996-3005.
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Computationally Probing the Performance of Hybrid, Heterogeneous, and Homogeneous Iridium-Based Catalysts for Water Oxidation
COVER ChemCatChem 2016, 8, 1792-1798. -
Ligand ordering determines the catalytic response of hybrid palladium nanoparticles in hydrogenation
COVER Catal. Sci. Technol. 2016, 6, 1621-1631.
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Diversity at the Water-Metal Interface: Metal, Water Thickness, and Confinement Effects
GO TO OPEN ACCESS ACS Cent. Sci. 2016, 2, 109-116.
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Advances in the Design of Nanostructured Catalysts for Selective Hydrogenation
ChemCatChem 2016, 8, 21-33. -
Understanding and Tuning the Intrinsic Hydrophobicity of Rare-Earth Oxides: A DFT+U Study
ACS Appl. Mater. Interfaces 2016, 8, 152-160.