Free charge generation in donor-acceptor (D-A) based organic photovoltaic diodes (OPV) progresses through formation of charge-transfer (CT) and charge-separated (CS) states and excitation decay to the triplet level is considered as a terminal loss. On the other hand a direct excitation decay to the triplet state is beneficial for multiexciton harvesting in singlet fission photovoltaics (SF-PV) ...

electronic effects were investigated on the singlet–triplet energy gaps of divalent unsaturated seven- membered ring r2c6h6m (m=c, si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) at b3lyp/6-311++g** level. all the triplet states of r2c6h6c were more stable than the related the singlet states while all the singlet states of r2c6h6m (m= si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) were more stable than th...

In this paper, we study the electronic properties of a concentric triple quantum ring using exact diagonalization technique. The energy spectra and magnetization for a single electron and two electrons, in the presence of an applied magnetic field, are calculated and discussed. It is shown that, for two-interacting electrons, the period of Aharonov-Bohm oscillations decreases to the half of tha...

Bodipy is used for the preparation of Pt(II) bisacetylide complexes which show strong absorption of visible light and long-lived triplet state. Room temperature (RT) near-IR phosphorescence of Bodipy was observed. The π-conjugation framework of visible light-harvesting Bodipy ligand was connected to the Pt(II) center by the C≡C bond. The complexes were used as triplet photosensitizers for tripl...

In several fields of research, like e.g. photosensitization, photovoltaics, organic electroluminescent devices, dynamic nuclear polarization, or pulsed dipolar electron paramagnetic resonance spectroscopy, triplet state kinetics play an important role. It is therefore desirable to tailor the kinetics of photoexcited triplet states, e.g. by exploiting the intramolecular heavy-atom effect, and to...

Computations have been performed for the singlet and triplet electronic states of varying orientations of naphthalene dimer. The dependence of exciton splitting upon orientation and intermonomer distance was explored. Splittings of triplet states are seen to be nontrivial at typical bonding distances, commensurate with the splittings of weakly allowed singlet states. Charge-transfer interaction...

The reaction pathways for the photochemical formation of cyclobutane thymine dimers in DNA are explored using hybrid density functional theory techniques. It is concluded that the thymine-thymine [2 + 2] cycloaddition displays favorable energy barriers and reaction energies in both the triplet and the singlet excited states. The stepwise cycloaddition in the triplet excited state involves the i...