Ciencia computacional de materiales
Consiglio Nazionale delle Ricerche
Roma, ItaliaPublicaciones en colaboración con investigadores/as de Consiglio Nazionale delle Ricerche (11)
2023
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Direct Band Gap Chalcohalide Semiconductors: Quaternary AgBiSCl2 Nanocrystals
Chemistry of Materials, Vol. 35, Núm. 23, pp. 9900-9906
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Ligand dynamics on the surface of CdSe nanocrystals
Nanoscale, Vol. 15, Núm. 16, pp. 7410-7419
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Mixed Valence of Bismuth in Hexagonal Chalcohalide Nanocrystals
Chemistry of Materials, Vol. 35, Núm. 3, pp. 1029-1036
2022
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Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals
Nature Communications, Vol. 13, Núm. 1
2020
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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
2019
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Stable Ligand Coordination at the Surface of Colloidal CsPbBr3 Nanocrystals
Journal of Physical Chemistry Letters, Vol. 10, Núm. 13, pp. 3715-3726
2017
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Quantum-Confined and Enhanced Optical Absorption of Colloidal PbS Quantum Dots at Wavelengths with Expected Bulk Behavior
Nano Letters, Vol. 17, Núm. 2, pp. 1248-1254
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Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective
Journal of Physical Chemistry Letters, Vol. 8, Núm. 20, pp. 5209-5215
2015
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First-Principles Modeling of Core/Shell Quantum Dot Sensitized Solar Cells
Journal of Physical Chemistry C, Vol. 119, Núm. 22, pp. 12739-12748
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The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: A first-principles study
Physical Chemistry Chemical Physics, Vol. 17, Núm. 8, pp. 6076-6086
2012
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A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures
Journal of Materials Chemistry, Vol. 22, Núm. 40, pp. 21453-21465