Enabling singlet fission by controlling intramolecular charge transfer in π-stacked covalent terrylenediimide dimers

EA Margulies, CE Miller, Y Wu, L Ma, GC Schatz… - Nature Chemistry, 2016 - nature.com
When an assembly of two or more molecules absorbs a photon to form a singlet exciton, and
the energetics and intermolecular interactions are favourable, the singlet exciton can rapidly …

Slip-stacked perylenediimides as an alternative strategy for high efficiency nonfullerene acceptors in organic photovoltaics

PE Hartnett, A Timalsina, HSSR Matte… - Journal of the …, 2014 - ACS Publications
Perylenediimide (PDI)-based acceptors offer a potential replacement for fullerenes in bulk-
heterojunction (BHJ) organic photovoltaic cells (OPVs). The most promising efforts have …

Discrete π-stacks of perylene bisimide dyes within folda-dimers: insight into long-and short-range exciton coupling

C Kaufmann, D Bialas, M Stolte… - Journal of the American …, 2018 - ACS Publications
Four well-defined π-stacks of perylene bisimide (PBI) dyes were obtained in solution by
covalent linkage of two chromophores with spacer units of different length and sterical …

Direct observation of a charge-transfer state preceding high-yield singlet fission in terrylenediimide thin films

EA Margulies, JL Logsdon, CE Miller… - Journal of the …, 2017 - ACS Publications
Singlet exciton fission (SF) in organic chromophore assemblies results in the conversion of
one singlet exciton (S1) into two triplet excitons (T1), provided that the overall process is …

Direct observation of ultrafast excimer formation in covalent perylenediimide dimers using near-infrared transient absorption spectroscopy

KE Brown, WA Salamant, LE Shoer… - The Journal of …, 2014 - ACS Publications
Energy transfer in perylene-3, 4: 9, 10-bis (dicarboximide)(PDI) aggregates is often limited
by formation of a low-energy excimer state. Formation dynamics of excimer states are often …

Quantifying charge transfer energies at donor–acceptor interfaces in small-molecule solar cells with constrained DFTB and spectroscopic methods

R Scholz, R Luschtinetz, G Seifert… - Journal of physics …, 2013 - iopscience.iop.org
Charge transfer states around the donor–acceptor interface in an organic solar cell
determine the device performance in terms of the open circuit voltage. In the present work …

Excimer formation and symmetry-breaking charge transfer in cofacial perylene dimers

RE Cook, BT Phelan, RJ Kamire… - The Journal of …, 2017 - ACS Publications
The use of multiple chromophores as photosensitizers for catalysts involved in energy-
demanding redox reactions is often complicated by electronic interactions between the …

Structural origins of the electronic properties of materials via time-resolved infrared spectroscopy

KT Munson, ER Kennehan, JB Asbury - Journal of Materials Chemistry …, 2019 - pubs.rsc.org
Time-resolved mid-infrared (TRIR) spectroscopy offers new opportunities to investigate how
the molecular and structural properties of optoelectronic materials influence their electronic …

Ultrafast exciton self-trapping upon geometry deformation in perylene-based molecular aggregates

A Schubert, V Settels, W Liu, F Würthner… - The journal of …, 2013 - ACS Publications
Femtosecond time-resolved experiments demonstrate that the photoexcited state of
perylene tetracarboxylic acid bisimide (PBI) aggregates in solution decays nonradiatively on …

Accelerating Analytic-Continuation GW Calculations with a Laplace Transform and Natural Auxiliary Functions

J Tölle, N Niemeyer… - Journal of Chemical Theory …, 2024 - ACS Publications
We present a simple and accurate GW implementation based on a combination of a Laplace
transform (LT) and other acceleration techniques used in post-self-consistent field quantum …