Unconventional singlet fission materials
Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …
Many-Body Green's Function Theory for Electronic Excitations in Complex Chemical Systems
M Zhang, Y Liu, Y Jiang, Y Ma - The Journal of Physical Chemistry …, 2023 - ACS Publications
The GW method and the Bethe–Salpeter equation (BSE) have exhibited excellent
performance in computing charged and neutral electronic excitations in materials of various …
performance in computing charged and neutral electronic excitations in materials of various …
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 …
Steering the multiexciton generation in slip-stacked perylene dye array via exciton coupling
Dye arrays from dimers up to larger oligomers constitute the functional units of natural light
harvesting systems as well as organic photonic and photovoltaic materials. Whilst in the past …
harvesting systems as well as organic photonic and photovoltaic materials. Whilst in the past …
Excitons and Singlet Fission at the Crystalline Tetracene–Silicon Interface
Excitons in organic crystalline semiconductors play a crucial role in the operation of
optoelectronic devices, such as organic solar cells, light-emitting diodes, and …
optoelectronic devices, such as organic solar cells, light-emitting diodes, and …
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 …
Effect of dynamical screening in the Bethe-Salpeter framework: Excitons in crystalline naphthalene
Solving the Bethe-Salpeter equation (BSE) for the optical polarization functions is a first
principles means to model optical properties of materials including excitonic effects. One …
principles means to model optical properties of materials including excitonic effects. One …
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 …
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 …
Many-body perturbation theory for understanding optical excitations in organic molecules and solids
S Sharifzadeh - Journal of Physics: Condensed Matter, 2018 - iopscience.iop.org
Semiconductors composed of organic molecules are promising as components for flexible
and inexpensive optoelectronic devices, with many recent studies aimed at understanding …
and inexpensive optoelectronic devices, with many recent studies aimed at understanding …