Surface-induced deprotonation of thiol ligands impacts the optical response of CdS quantum dots

L Lystrom, A Roberts, N Dandu, S Kilina - Chemistry of Materials, 2021 - ACS Publications
Cadmium chalcogenide quantum dots (QDs) passivated by thiol-based ligands exhibit
several advantages in their applications in lighting, sensing, and imaging technologies …

N-heterocyclic carbenes as reversible exciton-delocalizing ligands for photoluminescent quantum dots

DE Westmoreland, R López-Arteaga… - Journal of the American …, 2020 - ACS Publications
Delocalization of excitons within semiconductor quantum dots (QDs) into states at the
interface of the inorganic core and organic ligand shell by so-called “exciton-delocalizing …

Thermodynamics and mechanism of a photocatalyzed stereoselective [2+ 2] cycloaddition on a CdSe quantum dot

LO Jones, MA Mosquera, Y Jiang… - Journal of the …, 2020 - ACS Publications
Colloidal quantum dots (QDs) have shown promise over the last few decades for a range of
applications including single photon emission, in vivo imaging, and photocatalysis. Recent …

Interfacial Charge Transfer in Photoexcited QD-Molecule Composite of Tetrahedral CdSe Quantum Dot Coupled with Carbazole

K Samuthirapandi, P Durairaj… - ACS Applied Materials & …, 2024 - ACS Publications
Photoexcited charge transfer dynamics in CdSe quantum dots (QDs) coupled with carbazole
were explored to model QD-molecule systems for light-harvesting applications. The …

Performance regulation of thieno [3, 2-b] benzothiophene π-spacer-based D-π-A organic dyes for dye-sensitized solar cell applications: insights from computational …

X Xie, ZH Liu, FQ Bai, HX Zhang - Frontiers in chemistry, 2019 - frontiersin.org
Dye-sensitized solar cells (DSSCs) have been widely investigated; however, the
development of promising dye sensitizers is still appealing. In this work, we perform a …

Theoretical study on organic dyes with tunable π-spacers for dye-sensitized solar cells: Inspired by the organic polymer photovoltaics

X Xie, Z Liu, W Li, FQ Bai, EC Lee, HX Zhang - Chemical Physics Letters, 2019 - Elsevier
We present the theoretical investigation on tuning π-spacers in D-π-A organic dyes for dye-
sensitized solar cells (DSSCs). The validity of three series of conjugate units (12 types) …

Spectral shift, electronic coupling and exciton delocalization in nanocrystal dimers: insights from all-atom electronic structure computations

M Coden, P De Checchi, B Fresch - Nanoscale, 2020 - pubs.rsc.org
Delocalization of excitons promoted by electronic coupling between clusters or quantum
dots (QD) changes the dynamical processes in nanostructured aggregates enhancing …

Theoretical design of porphyrin dyes with electron-deficit heterocycles towards near-IR light sensitization in dye-sensitized solar cells

W Li, W Ren, Z Chen, TF Lu, L Deng, J Tang, X Zhang… - Solar Energy, 2019 - Elsevier
We develop a series of porphyrin sensitizers with electron-deficit heterocycles based on the
well-known YD2-o-C8 dye for application in dye-sensitized solar cells with the help of ab …

First-principles screening and design of C275-based organic dyes for highly efficient dye-sensitized solar cells

Y Shao, Z Wei, LMM Mendoza, T Lu, S Chen, M Li… - Solar Energy, 2020 - Elsevier
Dye-sensitized solar cells (DSSCs) are one of the most promising alternatives to traditional
silicon-based photovoltaic cells. Herein, we have systematically investigated the …

Post-Synthetic Modulation of the Bandgap of Colloidal Quantum Dots through Dynamic Interfacial Interactions

DE Westmoreland - 2020 - search.proquest.com
This dissertation describes investigations into the two primary mechanisms by which the
optical bandgap of colloidal quantum dots (QDs) may be post-synthetically modified:(i) by …