Related papers: Intermolecular Vibrations Drive Ultrafast Singlet …
The importance of singlet fission as a fundamental process with a variety of implications in energy harvesting cannot be overstated. The challenge is in characterizing the energy states of these large singlet fission molecular aggregates…
We show from many-body quantum mechanical calculations that there occur structurally distinct triplet-pair eigenstates in the intramolecular singlet fission (iSF) compound pentacene-tetracene-pentacene. Triplet excitons occupy neigboring…
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…
Organic semiconductor crystals stand out as an efficient, cheap and diverse platform for realising optoelectronic applications. The optical response of these crystals is governed by a rich tapestry of exciton physics. So far, little is…
While silicon solar cells dominate global photovoltaic energy production, their continued improvement is hindered by the single junction limit. One potential solution is to use molecular singlet exciton fission to generate two electrons…
Several recent electron spin resonance studies have observed a quintet multiexciton state during the singlet fission process. Here we provide a general theoretical explanation for the generation of this state by invoking a time-varying…
Singlet fission, a process that splits a singlet exciton into a biexciton, has promise in quantum information. We report time-resolved electron paramagnetic resonance measurements on a molecule, TIPS-BP1$'$, designed to exhibit strongly…
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…
Singlet fission is an important candidate to increase energy conversion efficiency in organic photovoltaics by providing a pathway to increase the quantum yield of excitons per photon absorbed in select materials. We investigate the…
An explanation is provided for the ultrafast photo-excited electron dynamics in low-spin Ruthenium (II) organic complexes. The experimentally-observed singlet to triplet decay in the metal-to-ligand charge-transfer (MLCT) states contradicts…
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…
Endothermic singlet fission (SF), an exciton multiplication process that produces a pair of high-energy triplet excitons (T1T1), is appealing for photovoltaic or photoelectrochemical applications, as it allows the conversion of entropy into…
Singlet exciton fission has the potential to increase the efficiency of crystalline silicon solar cells beyond the conventional single junction limit. Perhaps the largest obstacle to achieving this enhancement is uncertainty about energy…
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…
Singlet fission, which has applications in areas ranging form solar energy to quantum information, relies critically on transitions within a multi-spin manifold. These transitions are driven by fluctuations in the spin-spin exchange…
Spin triplet exciton formation sets limits on technologies using organic semiconductors that are confined to singlet-triplet photophysics. In contrast, excitations in the spin doublet manifold in organic radical semiconductors can show…
We investigate theoretically the influence of strong light-matter coupling on the initial steps of the photo-triggered singlet-fission process. In particular we focus on intra-molecular singlet fission in a TIPS-pentacene dimer derivative…
Molecular quantum sensors represent a promising frontier for the detection of nuclear magnetic resonance signals and alternating current magnetic fields at the nanoscale, potentially reaching single-proton sensitivity. Although the triplet…
Covalently linked acene dimers are of interest as candidates for intramolecular singlet fission. We report many-electron calculations of the energies and wavefunctions of the optical singlets, the lowest triplet exciton and the…
The photoinduced switching of Fe(II)-based spin-crossover complexes from singlet to quintet takes place at ultrafast time scales. This a priori spin-forbidden transition triggered numerous time-resolved experiments of solvated samples to…