Ciencia computacional de materiales
Ghent University
Gante, BélgicaPublicaciones en colaboración con investigadores/as de Ghent University (18)
2024
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Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands
Chemical Science
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Surface Reconstructions in II-VI Quantum Dots
ACS Nano, Vol. 18, Núm. 2, pp. 1563-1572
2023
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Classical Force Field Parameters for InP and InAs Quantum Dots with Various Surface Passivations
Journal of Physical Chemistry A, Vol. 127, Núm. 15, pp. 3427-3436
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Localizing Oleylamine Ligands on Amine-Halide Copassivated Indium Phosphide Nanocrystals
Chemistry of Materials, Vol. 35, Núm. 11, pp. 4393-4403
2021
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Acid-Base Mediated Ligand Exchange on Near-Infrared Absorbing, Indium-Based III-V Colloidal Quantum Dots
Journal of the American Chemical Society, Vol. 143, Núm. 11, pp. 4290-4301
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Ligand Adsorption Energy and the Postpurification Surface Chemistry of Colloidal Metal Chalcogenide Nanocrystals
Chemistry of Materials, Vol. 33, Núm. 8, pp. 2796-2803
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Shape, Electronic Structure, and Trap States in Indium Phosphide Quantum Dots
Chemistry of Materials, Vol. 33, Núm. 17, pp. 6885-6896
2020
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Near-Edge Ligand Stripping and Robust Radiative Exciton Recombination in CdSe/CdS Core/Crown Nanoplatelets
Journal of Physical Chemistry Letters, Vol. 11, Núm. 9, pp. 3339-3344
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Phonon-Mediated and Weakly Size-Dependent Electron and Hole Cooling in CsPbBr3 Nanocrystals Revealed by Atomistic Simulations and Ultrafast Spectroscopy
Nano Letters, Vol. 20, Núm. 3, pp. 1819-1829
2019
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Po-Containing Molecules in Fusion and Fission Reactors
The journal of physical chemistry letters, Vol. 10, Núm. 11, pp. 2879-2884
2018
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Colloidal CdSe Nanoplatelets, A Model for Surface Chemistry/Optoelectronic Property Relations in Semiconductor Nanocrystals
Journal of the American Chemical Society, Vol. 140, Núm. 41, pp. 13292-13300
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Continuous-wave infrared optical gain and amplified spontaneous emission at ultralow threshold by colloidal HgTe quantum dots
Nature Materials, Vol. 17, Núm. 1, pp. 35-41
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Ligand Displacement Exposes Binding Site Heterogeneity on CdSe Nanocrystal Surfaces
Chemistry of Materials, Vol. 30, Núm. 3, pp. 1178-1186
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Probing Solvent-Ligand Interactions in Colloidal Nanocrystals by the NMR Line Broadening
Chemistry of Materials, Vol. 30, Núm. 15, pp. 5485-5492
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The Surface Chemistry of Colloidal HgSe Nanocrystals, toward Stoichiometric Quantum Dots by Design
Chemistry of Materials, Vol. 30, Núm. 21, pp. 7637-7647
2017
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Binding and Packing in Two-Component Colloidal Quantum Dot Ligand Shells: Linear versus Branched Carboxylates
Journal of the American Chemical Society, Vol. 139, Núm. 9, pp. 3456-3464
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On the Origin of Surface Traps in Colloidal II-VI Semiconductor Nanocrystals
Chemistry of Materials, Vol. 29, Núm. 2, pp. 752-761
2016
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Chemically Triggered Formation of Two-Dimensional Epitaxial Quantum Dot Superlattices
ACS Nano, Vol. 10, Núm. 7, pp. 6861-6870