Related papers: Intermolecular Vibrations Drive Ultrafast Singlet …
Organic light-emitting diodes (OLEDs) must be engineered to circumvent the efficiency limit imposed by the 3:1 ratio of triplet to singlet exciton formation following electron-hole capture. Here we show the spin nature of luminescent…
From organic electronics to biological systems, understanding the role of intermolecular interactions between spin pairs is a key challenge. Here we show how such pairs can be selectively addressed with combined spin and optical…
The mechanism behind fast intersystem crossing in transition-metal complexes is shown to be a result of the dephasing of the photoexcited state to the phonon continuum of a different state with a significantly different transition…
Based on the Frenkel-charge transfer (CT) mixing model of singlet fission (SF), we incorporate both the local and nonlocal phonon baths in the Hamiltonian and adopt the algorithm of time-dependent density matrix renormalization group to…
Exciton-polaritons are quasiparticles with mixed photon and exciton character that demonstrate rich quantum phenomena, novel optoelectronic devices and the potential to modify chemical properties of materials. Organic semiconductors are of…
Singlet exciton fission is the spin-allowed generation of two triplet electronic excited states from a singlet state. Intramolecular singlet fission has been suggested to occur on individual carotenoid molecules within protein complexes,…
Controllable topological phase transitions are appealing as they allow for tunable single particle electronic properties. Here, by using state-of-the-art manybody perturbation theory techniques, we show that the topological $Z_2$ phase…
We demonstrate the conversion of cold Cs_{2} molecules initially distributed over several vibrational levels of the lowest triplet state a^{3}\Sigma_{u}^{+} into the singlet ground state X^{1}\Sigma_{g}^{+}. This conversion is realized by a…
Ab initio molecular dynamics including non-adiabatic and spin-orbit couplings on equal footing is used to unravel the deactivation of cytosine after UV light absorption. Intersystem crossing (ISC) is found to compete directly with internal…
The rise of organic electronics calls for versatile modeling tools. In this context, we develop a semiclassical Boltzmann theory that describes transport and excitonic processes in crystalline organic semiconductors on equal footing. The…
In the mixture of ultracold spin-1 atoms of two different species A and B (e.g., $^{23}$Na (A) and $^{87}$Rb (B)), inter-species singlet-pairing process ${\rm A}_{+1}+{\rm B}_{-1}\rightleftharpoons {\rm A}_{-1}+{\rm B}_{+1}$, can be induced…
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 geminate annihilation of two triplet excitons created by singlet exciton fission is affected by the dimensionality of transport as determined by typically anisotropic triplet exciton mobilities in organic molecular crystals. We analyze…
Silicon solar cells dominate the solar cell market with record lab efficiencies reaching almost 26%. However, after 60 years of research, this efficiency saturated close to the theoretical limit for silicon, and radically new approaches are…
The power conversion efficiency of organic solar cells has recently improved beyond 20%. The active layers of these devices comprise of at least two organic semiconductors, forming a type II heterojunction. Hereby, the device performance is…
Molecules present a versatile platform for quantum information science, and are candidates for sensing and computation applications. Robust spin-optical interfaces are key to harnessing the quantum resources of materials. To date,…
We investigate the inelastic spin-flip rate for electrons in a quantum dot due to their contact hyperfine interaction with lattice nuclei. In contrast to other works, we obtain a spin-phonon coupling term from this interaction by taking…
A theory of singlet fission (SF) in carotenoid dimers is applied to explain the SF in lycopene H-aggregates observed after high energy photoexcitation. The explanation proposed here is that a high energy, delocalized bright $^1B_u^+$ state…
The electron-electron and electron-phonon coupling in complex materials can be more complicated than simple density-density interactions, involving intertwined dynamics of spin, charge, and spatial symmetries. This motivates studying…
We present a practical semiclassical method for computing the electron spin dynamics of a radical in which the electron spin is hyperfine coupled to a large number of nuclear spins. This can be used to calculate the singlet and triplet…