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 …

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 …

Understanding charge dynamics in dense electronic manifolds in complex environments

F Perrella, A Petrone, N Rega - Journal of Chemical Theory and …, 2023 - ACS Publications
Photoinduced charge transfer (CT) excited states and their relaxation mechanisms can be
highly interdependent on the environment effects and the consequent changes in the …

Quantum chemical characterization and design of quantum dots for sensing applications

A Foerster, NA Besley - The Journal of Physical Chemistry A, 2022 - ACS Publications
The ability to tune the optoelectronic properties of quantum dots (QDs) makes them ideally
suited for the use as fluorescence sensing probes. The vast structural diversity in terms of …

[HTML][HTML] Photovoltaic performance of heteroatom-doped boron nitride quantum dots in quantum dot photovoltaic cells

P Cui, J Zhang - Catalysis Communications, 2023 - Elsevier
The photovoltaic performance of C/O/S-doped hexagonal boron nitride (h-BN) quantum dots
(QDs) is studied using density functional theory. Doping leads to occupied or unoccupied …

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 …

Probing the mechanism of fluorescence quenching of QDs by Co (III)-Complexes: size of QD and nature of the complex both dictate energy and electron transfer …

A Pal, S Srivastava, P Saini, S Raina… - The Journal of …, 2015 - ACS Publications
The decrease in photoluminescence (PL) of four different sized CdSe colloidal quantum dots
(donors) has been investigated in the presence of three different Cobalt (III) complexes …

Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations

E Buttarazzi, F Perrella, N Rega… - Journal of Chemical …, 2023 - ACS Publications
Here is presented the ultrafast hole–electron dynamics of photoinduced metal to ligand
charge-transfer (MLCT) states in a Ru (II) complex,[Ru (dcbpy) 2 (NCS) 2] 4–(dcbpy= 4, 4 …

Charge-Transfer luminescence in a molecular donor–acceptor complex: computational insights

A Forde, VM Freixas, S Fernandez-Alberti… - The Journal of …, 2022 - ACS Publications
Donor–acceptor molecular complexes are a popular class of materials utilizing charge-
transfer states for practical applications. A recent class of donor–acceptor dyads based on …

Defective nature of CdSe quantum dots embedded in inorganic matrices

W Li, K Li, X Zhao, C Liu… - Journal of the American …, 2022 - ACS Publications
Quantum dots (QDs) embedded in inorganic matrices have been extensively studied for
their potential applications in lighting, displays, and solar cells. While a significant amount of …