Related papers: Singlet Fission among two Single Molecules
Singlet fission (SF) is a potential pathway for significant enhancement of efficiency in organic solar cells (OSC). In this paper, we study singlet fission in a pair of polyene molecules in two different stacking arrangements employing…
Singlet fission (SF), an exciton multiplication process occurring in organic semiconductors, offers a way to break the Shockley-Queisser limit in single-bandgap photovoltaics (PV). If the triplet excitons generated by SF can be transferred…
Singlet fission (SF) is an electronic transition that in the last decade has been under the spotlight for its applications in optoelectronics, from photovoltaics to spintronics. Despite considerable experimental and theoretical…
Molecular dimers are widely utilized as a tool to investigate the structure-property relationships behind the complex photophysical processes of condensed-phase systems, where structural tuning remains a challenge. This approach often…
Singlet exciton fission (SEF) is initiated by ultrafast internal conversion of a singlet exciton into a correlated triplet pair (TT)1. The `reaction coordinates' for ultrafast SEF even in archetypal systems such as pentacene thin film…
Molecular spin systems based on photoexcited triplet pairs formed via singlet fission (SF) are attractive as carriers of quantum information because of their potentially pure and controllable spin polarization, but developing systems that…
Singlet fission, in which the optical spin-singlet exciton dissociates into two low energy triplet excitons, has been proposed as a viable approach to enhance the quantum efficiency of organic solar cells. We show that even when singlet…
Kinetics of singlet fission in organic semiconductors, in which the excited singlet state (S_1) spontaneously splits into a pair of triplet (T) excitons, is known to be strongly influenced by back geminate annihilation of TT-pairs. We show…
The electronic interaction between an optically active singlet state ($S_1S_0$) and a dark state of singlet multiplicity, known as correlated triplet pair ($^1[TT]$), plays a crucial role in the effective transformation from $S_1S_0$ to…
In the preceding paper, we assembled the theoretical components necessary for a unified framework of singlet fission, a type of multiexciton generation producing two triplet excitons from one singlet exciton. In this paper, we apply our…
The coherent two-dimensional (2D) electronic spectra with respect to the singlet fission (SF) process in organic molecular aggregates are simulated by the Davydov ansatz combined with the Frenkel-Dirac time-dependent variational algorithm.…
We develop a theory of singlet fission in carotenoid dimers. Following photoexcitation of the 'bright' state (i.e., a singlet electron-hole pair) in a single carotenoid, the first step in the singlet fission process is ultrafast…
High-spin states in molecular systems hold significant interest for a wide range of applications ranging from optoelectronics to quantum information and singlet fission (SF). Quintet and triplet states play crucial roles, particularly in SF…
Singlet fission in tetracene generates two triplet excitons per absorbed photon. If these triplet excitons can be effectively transferred into silicon (Si) then additional photocurrent can be generated from photons above the bandgap of Si.…
Conversion of solar energy with high quantum efficiencies is a key challenge in energy technologies. Excitation energy transfer (EET) mechanisms, such as F\"orster resonance energy transfer (FRET), play a crucial role in facilitating…
A theory of singlet fission in carotenoid dimers is presented which aims to explain the mechanism behind the creation of two uncorrelated triplets. Following the initial photoexcitation of a carotenoid chain to a "bright" $n^1B_u^+$ state,…
The growing interest in harnessing singlet fission for photovoltaic applications stems from the possibility of generating two excitons from a single photon. Quantum efficiencies above unity have been reported, yet the correlation between…
Singlet fission (SF) is a multi-exciton generation process that could be harnessed to improve the efficiency of photovoltaic devices. Experimentally, systems derived from the pentacene molecule have been shown to exhibit ultrafast SF with…
Precise understanding of the electronic structures of optically dark triplet-triplet multiexcitons that are the intermediate states in singlet fission (SF) continues to be a challenge. This is particularly true for intramolecular singlet…
We develop a powerful tree tensor network states method that is capable of simulating exciton-phonon quantum dynamics of larger molecular complexes and open quantum systems with multiple bosonic environments. We interface this method with…