Killer phonon caught: Femtosecond stimulated Raman spectroscopy identifies phonon-induced control of photophysics in rubrene derivatives
ML Clapham, A Das, CJ Douglas… - Journal of the American …, 2024 - ACS Publications
Molecular reaction coordinates are defined by the interplay of a number of orthogonal
nuclear coordinates and are inherently multidimensional for large molecules. Identifying …
nuclear coordinates and are inherently multidimensional for large molecules. Identifying …
Inverse design of tetracene polymorphs with enhanced singlet fission performance by property-based genetic algorithm optimization
The efficiency of solar cells may be improved by using singlet fission (SF), in which one
singlet exciton splits into two triplet excitons. SF occurs in molecular crystals. A molecule …
singlet exciton splits into two triplet excitons. SF occurs in molecular crystals. A molecule …
Finding predictive models for singlet fission by machine learning
Singlet fission (SF), the conversion of one singlet exciton into two triplet excitons, could
significantly enhance solar cell efficiency. Molecular crystals that undergo SF are scarce …
significantly enhance solar cell efficiency. Molecular crystals that undergo SF are scarce …
Singlet fission rate: Optimized packing of a molecular pair. Ethylene as a model
A Zaykov, P Felkel, EA Buchanan… - Journal of the …, 2019 - ACS Publications
A procedure is described for unbiased identification of all π-electron chromophore pair
geometry choices that locally maximize the rate of conversion of a singlet exciton into a …
geometry choices that locally maximize the rate of conversion of a singlet exciton into a …
Computational Discovery of Intermolecular Singlet Fission Materials Using Many-Body Perturbation Theory
Intermolecular singlet fission (SF) is the conversion of a photogenerated singlet exciton into
two triplet excitons residing on different molecules. SF has the potential to enhance the …
two triplet excitons residing on different molecules. SF has the potential to enhance the …
An energetics perspective on why there are so few triplet–triplet annihilation emitters
The efficiency of solar cells may be increased by utilizing photons with energies below the
band gap of the absorber. This may be enabled by upconversion of low energy photons into …
band gap of the absorber. This may be enabled by upconversion of low energy photons into …
High-symmetry anthradithiophene molecular packing motifs promote thermally activated singlet fission
G Mayonado, KT Vogt, JDB Van Schenck… - The Journal of …, 2022 - ACS Publications
When considering the optimal molecular packing to realize charge multiplication in organic
photovoltaic materials, subtle changes in intermolecular charge transfer (CT) coupling can …
photovoltaic materials, subtle changes in intermolecular charge transfer (CT) coupling can …
3D electron diffraction structure determination of terrylene, a promising candidate for intermolecular singlet fission
CL Hall, I Andrusenko, J Potticary, S Gao… - …, 2021 - Wiley Online Library
Herein we demonstrate the prowess of the 3D electron diffraction approach by unveiling the
structure of terrylene, the third member in the series of peri‐condensed naphthalene …
structure of terrylene, the third member in the series of peri‐condensed naphthalene …
An energetics assessment of benzo [a] tetracene and benzo [a] pyrene as triplet–triplet annihilation emitters
Optical upconversion (UC) of low energy photons into high energy photons enables solar
cells to harvest photons with energies below the band gap of the absorber, reducing the …
cells to harvest photons with energies below the band gap of the absorber, reducing the …
Assessing zethrene derivatives as singlet fission candidates based on multiple descriptors
Singlet fission (SF) is a process where one singlet exciton splits into two triplet excitons.
Utilizing SF may potentially increase the efficiency of solar cells beyond the Shockley …
Utilizing SF may potentially increase the efficiency of solar cells beyond the Shockley …