Ciencia computacional de materiales
VU University Amsterdam
Ámsterdam, HolandaPublicaciones en colaboración con investigadores/as de VU University Amsterdam (67)
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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Ligand dynamics on the surface of CdSe nanocrystals
Nanoscale, Vol. 15, Núm. 16, pp. 7410-7419
2022
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CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds
Journal of Chemical Information and Modeling, Vol. 62, Núm. 22, pp. 5525-5535
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Classical Force-Field Parameters for CsPbBr3Perovskite Nanocrystals
Journal of Physical Chemistry C, Vol. 126, Núm. 23, pp. 9898-9908
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Erratum: Colloidal Bi-Doped Cs2Ag1- xNaxInCl6Nanocrystals: Undercoordinated Surface Cl Ions Limit Their Light Emission Efficiency (ACS Mater. Lett. (2020) 2 : 11 (1442−1449) DOI: 10.1021/acsmaterialslett.0c00359)
ACS Materials Letters
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The Reactivity of CsPbBr3Nanocrystals toward Acid/Base Ligands
ACS Nano, Vol. 16, Núm. 1, pp. 1444-1455
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Ultra-narrow room-temperature emission from single CsPbBr3 perovskite quantum dots
Nature Communications, Vol. 13, Núm. 1
2021
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Fast Intrinsic Emission Quenching in Cs4PbBr6Nanocrystals
Nano Letters, Vol. 21, Núm. 20, pp. 8619-8626
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Halide Perovskite-Lead Chalcohalide Nanocrystal Heterostructures
Journal of the American Chemical Society, Vol. 143, Núm. 3, pp. 1435-1446
2020
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Alloy CsCd xPb1- xBr3Perovskite Nanocrystals: The Role of Surface Passivation in Preserving Composition and Blue Emission
Chemistry of Materials, Vol. 32, Núm. 24, pp. 10641-10652
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Bright Blue Emitting Cu-Doped Cs2ZnCl4Colloidal Nanocrystals
Chemistry of Materials, Vol. 32, Núm. 13, pp. 5897-5903
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Colloidal Bi-Doped Cs2Ag1- xNaxInCl6Nanocrystals: Undercoordinated Surface Cl Ions Limit their Light Emission Efficiency
ACS Materials Letters, Vol. 2, Núm. 11, pp. 1442-1449
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Compositional Tuning of Carrier Dynamics in Cs2Na1- xAgxBiCl6Double-Perovskite Nanocrystals
ACS Energy Letters, Vol. 5, Núm. 6, pp. 1840-1847
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Cs3Cu4In2Cl13 Nanocrystals: A Perovskite-Related Structure with Inorganic Clusters at A Sites
Inorganic Chemistry, Vol. 59, Núm. 1, pp. 548-554
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Electronic Structure Engineering Achieved via Organic Ligands in Silicon Nanocrystals
Chemistry of Materials, Vol. 32, Núm. 15, pp. 6326-6337
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Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures
Journal of the American Chemical Society, Vol. 142, Núm. 22, pp. 10198-10211
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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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Alkyl phosphonic acids deliver CsPbBr3 Nanocrystals with high photoluminescence quantum yield and truncated octahedron shape
Chemistry of Materials, Vol. 31, Núm. 21, pp. 9140-9147
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Defects in lead halide perovskite nanocrystals: Analogies and (many) differences with the bulk
ACS Energy Letters, Vol. 4, Núm. 11, pp. 2739-2747