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 …

The role of ligands in determining the exciton relaxation dynamics in semiconductor quantum dots

MD Peterson, LC Cass, RD Harris… - Annual review of …, 2014 - annualreviews.org
This article reviews the mechanisms through which molecules adsorbed to the surfaces of
semiconductor nanocrystals, quantum dots (QDs), influence the pathways for and dynamics …

Ligand exchange and the stoichiometry of metal chalcogenide nanocrystals: spectroscopic observation of facile metal-carboxylate displacement and binding

NC Anderson, MP Hendricks, JJ Choi… - Journal of the American …, 2013 - ACS Publications
We demonstrate that metal carboxylate complexes (L–M (O2CR) 2, R= oleyl, tetradecyl, M=
Cd, Pb) are readily displaced from carboxylate-terminated ME nanocrystals (ME= CdSe …

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 …

“Darker-than-Black” PbS quantum dots: enhancing optical absorption of colloidal semiconductor nanocrystals via short conjugated ligands

C Giansante, I Infante, E Fabiano… - Journal of the …, 2015 - ACS Publications
Colloidal quantum dots (QDs) stand among the most attractive light-harvesting materials to
be exploited for solution-processed optoelectronic applications. To this aim, quantitative …

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 …

Soluble, Chloride-Terminated CdSe Nanocrystals: Ligand Exchange Monitored by 1H and 31P NMR Spectroscopy

NC Anderson, JS Owen - Chemistry of Materials, 2013 - ACS Publications
Chloride-terminated, tri-n-butylphosphine (Bu3P) bound CdSe nanocrystals were prepared
by cleaving carboxylate ligands from CdSe nanocrystals (2.5 carboxylate/nm2) with …

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 …

Surface ligands increase photoexcitation relaxation rates in CdSe quantum dots

S Kilina, KA Velizhanin, S Ivanov, OV Prezhdo… - Acs Nano, 2012 - ACS Publications
Understanding the pathways of hot exciton relaxation in photoexcited semiconductor
nanocrystals, also called quantum dots (QDs), is of paramount importance in multiple …

Charge transfer and separation in photoexcited quantum dot-based systems

KV Vokhmintcev, PS Samokhvalov, I Nabiev - Nano Today, 2016 - Elsevier
Colloidal quantum dots (QDs) are semiconductor nanocrystals which exhibit strong
photoluminescence and have a variety of applications in modern nanotechnology …