Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters

A Fernando, KLDM Weerawardene… - Chemical …, 2015 - ACS Publications
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 …

Light-driven and phonon-assisted dynamics in organic and semiconductor nanostructures

S Kilina, D Kilin, S Tretiak - Chemical reviews, 2015 - ACS Publications
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 …

Precision synthesis of a CdSe semiconductor nanocluster via cation exchange

F Ma, KA Abboud, C Zeng - Nature Synthesis, 2023 - nature.com
Precision nanosynthesis is essential for atomic engineering in nanostructures and for
mechanistic understanding of nanoscale reactions. However, emergent complexity in …

Size-Dependent Response of CdSe Quantum Dots to Hydrostatic Pressure

Z Chen, JC Beimborn, N Kirkwood… - The Journal of …, 2023 - ACS Publications
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 …

Magic-sized CdSe nanoclusters: a review on synthesis, properties and white light potential

V Singh, PV More, E Hemmer, YK Mishra… - Materials …, 2021 - pubs.rsc.org
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 …

Surface chemistry of semiconducting quantum dots: Theoretical perspectives

SV Kilina, PK Tamukong, DS Kilin - Accounts of Chemical …, 2016 - ACS Publications
Conspectus Colloidal quantum dots (QDs) are near-ideal nanomaterials for energy
conversion and lighting technologies. However, their photophysics exhibits supreme …

Lamellar assembly of cadmium selenide nanoclusters into quantum belts

YH Liu, F Wang, Y Wang, PC Gibbons… - Journal of the …, 2011 - ACS Publications
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 …

Ligand Steric Profile Tunes the Reactivity of Indium Phosphide Clusters

SF Sandeno, KJ Schnitzenbaumer… - Journal of the …, 2024 - ACS Publications
Indium phosphide quantum dots have become an industrially relevant material for solid-
state lighting and wide color gamut displays. The synthesis of indium phosphide quantum …

GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes

J Wilhelm, M Del Ben, J Hutter - Journal of chemical theory and …, 2016 - ACS Publications
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 …

Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals

SA Fischer, AM Crotty, SV Kilina, SA Ivanov, S Tretiak - Nanoscale, 2012 - pubs.rsc.org
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 …