Parallel triplet formation pathways in a singlet fission material
Harvesting long-lived free triplets in high yields by utilizing organic singlet fission materials
can be the cornerstone for increasing photovoltaic efficiencies potentially. However, except …
can be the cornerstone for increasing photovoltaic efficiencies potentially. However, except …
Activating charge-transfer state formation in strongly-coupled dimers using DNA scaffolds
Strongly-coupled multichromophoric assemblies orchestrate the absorption, transport, and
conversion of photonic energy in natural and synthetic systems. Programming these …
conversion of photonic energy in natural and synthetic systems. Programming these …
One‐Pot Synthesis and Excited‐State Dynamics of Null Exciton‐Coupled Diketopyrrolopyrroles Oligo‐Grids
Y Bo, P Hou, J Wan, H Cao, Y Liu, L Xie… - Advanced …, 2023 - Wiley Online Library
Exciton coupling in molecular aggregates plays a vital role in impacting and fine‐tuning
optoelectronic materials and their efficiencies in devices. A versatile platform to decipher …
optoelectronic materials and their efficiencies in devices. A versatile platform to decipher …
Interexcited State Photophysics I: Benchmarking Density Functionals for Computing Nonadiabatic Couplings and Internal Conversion Rate Constants
We present the first benchmarking study of nonadiabatic matrix coupling elements
(NACMEs) calculated using different density functionals. Using the S 1→ S 0 transition in …
(NACMEs) calculated using different density functionals. Using the S 1→ S 0 transition in …
Solid‐State Absorption, Luminescence, and Singlet Fission of Furanyl‐Substituted Diketopyrrolopyrroles with Different π‐Stacking Arrangements
M Kratochvíl, MA Thottappali, S Luňák Jr… - …, 2023 - Wiley Online Library
Small modifications of the diketopyrrolopyrrole (DPP) molecular structure induced
remarkable changes in its spectral and photophysical behavior. Using furan (F) …
remarkable changes in its spectral and photophysical behavior. Using furan (F) …
Heterogeneous singlet fission in a covalently linked pentacene dimer
W Kim, NA Panjwani, KC Krishnapriya… - Cell Reports Physical …, 2024 - cell.com
Molecular dimers are generally regarded as essential tools for probing structure-property
relationships in condensed-phase systems, revealing complexities where structural tuning is …
relationships in condensed-phase systems, revealing complexities where structural tuning is …
Modeling radiative and non-radiative pathways at both the Franck–Condon and Herzberg–Teller approximation level
Here, we present a concise model that can predict the photoluminescent properties of a
given compound from first principles, both within and beyond the Franck–Condon …
given compound from first principles, both within and beyond the Franck–Condon …
Probing the electronic structure and photophysics of thiophene–diketopyrrolopyrrole derivatives in solution
Diketopyrrolopyrroles are a popular class of electron-withdrawing unit in optoelectronic
materials. When combined with electron donating side-chain functional groups such as …
materials. When combined with electron donating side-chain functional groups such as …
Exciton dynamics of a diketo-pyrrolopyrrole core for all low-lying electronic excited states using density functional theory-based methods
Ab initio treatments of interexcited state internal conversion (IC) are more often than not
missing from exciton dynamic descriptions, because of their inherent complexity. Here, we …
missing from exciton dynamic descriptions, because of their inherent complexity. Here, we …
Photophysics and spectroscopy of 1, 2-Benzazulene
S Awuku, SJ Bradley, KP Ghiggino, RP Steer… - Chemical Physics …, 2021 - Elsevier
The electronic spectroscopy and photophysics of 1, 2-benzazulene (BzAz) have been
examined in solution and in thin solid films, with the objective of comparing its intramolecular …
examined in solution and in thin solid films, with the objective of comparing its intramolecular …