相关论文: Orbital-resolved Observation of Singlet Fission
Charge separation is a critical process for achieving high efficiencies in organic photovoltaic cells. The initial tightly bound excitonic electron-hole pair has to dissociate fast enough in order to avoid photocurrent generation and thus…
Singlet Fission (SF) into two triplets offers exciting avenues for high-efficiency photovoltaics and optically initializable qubits. While the chemical space of SF chromophores is ever-expanding, the mechanistic details of…
Singlet fission (SF) is a very significant photophysical phenomenon and possesses potential applications. In this work, we try to give the rather detailed theoretical investigation of the SF process in the stacked polyacene dimer by…
We investigate the physical mechanisms for spin-dependent recombination of a strongly bound pair of triplet excitons generated by singlet fission and forming a spin quintet (total spin of two) bi-exciton. For triplet excitons the…
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…
Singlet fission, a phenomenon in which a singlet exciton is converted to two triplet excitons, is sensitive to vibrations that perturb couplings between electronic states (i.e., Peierls vibrations). In singlet fission models larger than…
In order to study the interplay between localized and dispersive orbital states in a system of ultracold atoms in an optical lattice, we investigate the possibility to coherently couple the lowest two Bloch bands by means of resonant…
Photochemical upconversion is a promising way to boost the efficiency of solar cells using triplet exciton annihilation. Currently, predicting the performance of photochemical upconversion devices is challenging. We present an open source…
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…
In this work we study singlet fission in tetracene para-dimers, covalently linked by a phenyl group. In contrast to most previous works, we account for the full quantum dynamics of the combined excitonic and vibrational system. For our…
The economic value of a photovoltaic installation depends upon both its lifetime and power conversion efficiency. Progress towards the latter includes mechanisms to circumvent the Shockley- Queisser limit, such as tandem designs and…
In photovoltaic diodes recombination of photogenerated electrons and holes is a major loss process. Biological light harvesting complexes (LHCs) prevent recombination via the use of cascade structures, which lead to spatial separation of…
We describe our dynamical simulations of the excited states of the carotenoid, neurosporene, following its photoexcitation into the 'bright' (nominally $1^1B_u^+$) state. We employ the adaptive tDMRG method on the UV model of…
Excitons are two-particle correlated bound states that are formed due to Coulomb interaction between single-particle holes and electrons. In the solid-state, cooperative interactions with surrounding quasiparticles can strongly tailor the…
Spin-entaglement has been proposed and extensively used in the case of correlated triplet pairs which are intermediate states in singlet fission process in select organic semiconductors. Here, we employ quantum process tomography of…
The concept of modifying molecular dynamics in strongly coupled exciton-polariton systems is an emerging topic in photonics due to its potential to produce customized chemical systems with tailored photophysical properties. However, before…
The transition between different states in manganites can be driven by various external stimuli. Controlling these transitions with light opens the possibility to investigate the microscopic path through which they evolve. We performed…
We have evaluated hyperfine-induced electron spin dynamics for two electrons confined to a double quantum dot. Our quantum solution accounts for decay of a singlet-triplet correlator even in the presence of a fully static nuclear spin…
Exciton dissociation at heterojunctions in photovoltaic devices is not completely understood despite being fundamentally necessary to generate electrical current. One of the fundamental issues for ab initio calculations is that hybrid…
Organic solar cells (OSCs) have recently shown a rapid improvement in their performance, bringing power conversion efficiencies (PCEs) closer to the point where commercial applications of the technology become viable. However, the low…