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 …
Precision synthesis of a CdSe semiconductor nanocluster via cation exchange
Precision nanosynthesis is essential for atomic engineering in nanostructures and for
mechanistic understanding of nanoscale reactions. However, emergent complexity in …
mechanistic understanding of nanoscale reactions. However, emergent complexity in …
Lamellar assembly of cadmium selenide nanoclusters into quantum belts
Here, we elucidate a double-lamellar-template pathway for the formation of CdSe quantum
belts. The lamellar templates form initially by dissolution of the CdX2 precursors in the n …
belts. The lamellar templates form initially by dissolution of the CdX2 precursors in the n …
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 …
Size-Dependent Response of CdSe Quantum Dots to Hydrostatic Pressure
The size-dependent pressure response of oleate-stabilized CdSe quantum dots (QDs) in
paraffin is investigated using diamond anvil cell experiments and density functional theory …
paraffin is investigated using diamond anvil cell experiments and density functional theory …
Magic-sized CdSe nanoclusters: a review on synthesis, properties and white light potential
Magic-sized nanoclusters have gained tremendous attention from researchers as they offer
applicability in a variety of fields ranging from chemistry and physics to electronics. The first …
applicability in a variety of fields ranging from chemistry and physics to electronics. The first …
GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes
We present an implementation of G 0 W 0 and eigenvalue-self-consistent GW (ev GW) in the
Gaussian and plane waves scheme for molecules. We calculate the correlation self-energy …
Gaussian and plane waves scheme for molecules. We calculate the correlation self-energy …
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 …
Dynamic trap formation and elimination in colloidal quantum dots
Using first-principles simulations on PbS and CdSe colloidal quantum dots, we find that
surface defects form in response to electronic do** and charging of the nanoparticles. We …
surface defects form in response to electronic do** and charging of the nanoparticles. We …