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Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters
Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
Light-driven and phonon-assisted dynamics in organic and semiconductor nanostructures
Rapid advances in chemical synthesis and fabrication techniques have led to a boost in
manufacturing and design of novel nanostructured materials that exhibit unique and often …
manufacturing and design of novel nanostructured materials that exhibit unique and often …
Identification of facet-dependent coordination structures of carboxylate ligands on CdSe nanocrystals
Aliphatic carboxylates are the most common class of surface ligands to stabilize colloidal
nanocrystals. The widely used approach to identify the coordination modes between surface …
nanocrystals. The widely used approach to identify the coordination modes between surface …
Surface chemistry of semiconducting quantum dots: Theoretical perspectives
Conspectus Colloidal quantum dots (QDs) are near-ideal nanomaterials for energy
conversion and lighting technologies. However, their photophysics exhibits supreme …
conversion and lighting technologies. However, their photophysics exhibits supreme …
Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals
We examine in detail the impact of passivating ligands (ie, amines, phosphines, phosphine
oxides and pyridines) on the electronic and optical spectra of Cd33Se33 quantum dots …
oxides and pyridines) on the electronic and optical spectra of Cd33Se33 quantum dots …
Surface ligands increase photoexcitation relaxation rates in CdSe quantum dots
Understanding the pathways of hot exciton relaxation in photoexcited semiconductor
nanocrystals, also called quantum dots (QDs), is of paramount importance in multiple …
nanocrystals, also called quantum dots (QDs), is of paramount importance in multiple …
Tuning semiconductor band edge energies for solar photocatalysis via surface ligand passivation
Semiconductor photocatalysts capable of broadband solar photon absorption may be
nonetheless precluded from use in driving water splitting and other solar-to-fuel related …
nonetheless precluded from use in driving water splitting and other solar-to-fuel related …
Effect of dot size on exciton binding energy and electron–hole recombination probability in CdSe quantum dots
JM Elward, A Chakraborty - Journal of chemical theory and …, 2013 - ACS Publications
Exciton binding energy and electron–hole recombination probability are presented as two
important metrics for investigating effect of dot size on electron–hole interaction in CdSe …
important metrics for investigating effect of dot size on electron–hole interaction in CdSe …
Influence of cap** ligands, solvent, and thermal effects on CdSe quantum dot optical properties by DFT calculations
Cadmium selenide nanomaterials are very important materials in photonics, catalysis, and
biomedical applications due to their optical properties that can be tuned through size, shape …
biomedical applications due to their optical properties that can be tuned through size, shape …
Benchmark assessment of density functional methods on group II–VI MX (M= Zn, Cd; X= S, Se, Te) quantum dots
In this work, we build a benchmark data set of geometrical parameters, vibrational normal
modes, and low-lying excitation energies for MX quantum dots, with M= Cd, Zn, and X= S …
modes, and low-lying excitation energies for MX quantum dots, with M= Cd, Zn, and X= S …