Photosensitization properties of coronene-purine (Cor-P) hybrids for photodynamic therapy (PDT) have been investigated in this work. Eight hybrid Cor-P models have been designed by the additional of adenine (A) and guanine (G) nucleobase to Cor species. The evaluated absorption and emission energies indicated that the singular models are not good at all for PDT process whereas their hybrid mode...

Triplet-triplet annihilation (TTA) based up-conversion is a promising strategy for light harvesting the low-energy tail of the solar spectrum with photovoltaic technologies. Here, we present a bi-component system for photon managing via TTA that allows bypassing the classical statistic limit of 2/5 in the singlet generation, achieving a near unitary conversion efficiency. This result is obtaine...

Hund's coupling in multiorbital systems allows for the possibility of even-parity orbital-antisymmetric spin-triplet pairing, which can be stabilized by spin-orbit (SOC). While this pairing expressed orbital basis is uniform and spin-triplet, it appears band as a pseudospin-singlet, with momentum dependence determined SOC underlying triplet character remaining form interband active away from Fe...

The lowest triplet state of tris(8-hydroxyquinoline)aluminium(III) (Alq3) has been prepared by pulse radiolysis/energy transfer from appropriate donors in benzene solutions and has an absorption maximum around 510 nm with a lifetime of about 50 mus. It is quenched by molecular oxygen, leading to singlet oxygen formation. From flash photolysis and singlet oxygen formation measurements, a quantum...

Transitioning to a future society, independent of fossil fuels, will definitely require the use of solar radiation for power and fuel production. Due to energy mismatch between device absorption and the broad band irradiation provided by the sun there are severe limitations to how efficient devices for direct conversion of solar radiation can be. One way to better use the solar radiation would ...

Saturation of complex molecules affects the nonlinear processes occurring in medium. The medium can be described by two-, three-, and four-level configurations. principal singlet-singlet excited triplet-triplet channels a four-level, N-type, configuration were used to study medium, which was radiation with two frequencies. Under weak population energy levels channel (a small ratio total probabi...

We consider a double quantum dot (DQD) qubit which contains six electrons instead of the usual one or two. In this spin qubit, quantum information is encoded in a low-lying singlet-triplet space much as in the case of a two-electron DQD qubit. We find that initialization, manipulation, and readout can be performed similarly to the two-electron case, and that energy gaps remain large enough that...

We present the results of a numerical study of the 2 3L spin1 2 Heisenberg ladder. Ground state energies and the singlet-triplet energy gaps for 4<L<14 and J' /J uu 5 1 were obtained in a Lanczos calculation and checked against earlier calculations by Barnes et al. ~even L< 12!. A related moments technique is then employed to evaluate spin response functions for L 5 12 and a range of J' /J uu ~...

Density functional theory (DFT) has been used to investigate the conformations and thermochemistry on the singlet and triplet potential energy surfaces (PES) of Cr2(CO)10. The global minimum energy structure for the lowest singlet state of C2h symmetry is consistent with a model of two interacting Cr(CO)5 fragments in which one carbonyl in each fragment acts as an asymmetric four-electron donor...