Related papers: Localization-dependent charge separation efficienc…
Employing high accuracy fixed node diffusion Monte Carlo (DMC) method we calculated the lowest triplet collective excitation (spin gap), as well as an upper bound for the singlet excitations (charge gap) in a series of charge neutral planar…
Charge transport in QD solids is typically understood as thermally activated tunneling or hopping between states that are localized on individual QDs. Here, we show that the slow relaxation that is associated with the disorder-broadened…
We investigate relaxation dynamics in the system of two identical quantum dipole emitters (QDEs) located near a metal nanoparticle (MNP) exhibiting a dipolar localized surface plasmon (LSP) resonance at the frequency of the QDE radiative…
Donor-acceptor (D-A) type copolymers show great potential for the application in the active layer of organic solar cells. Nevertheless the nature of the excited states, the coupling mechanism and the relaxation pathways following…
Solar cells with a heterojunction between colloidal CuInS$_2$ and ZnO nanocrystals are an innovative concept in solution-processed photovoltaics, but the conversion efficiency cannot compete yet with devices employing lead chalcogenide…
We investigate the effect of localization on the local charging of quantum batteries (QBs) modeled by disordered spin systems. Two distinct schemes based on the transverse-field random Ising model are considered, with Ising couplings…
Photosynthesis relies on efficient energy relaxation within the excited-state manifold of pigment-protein complexes. Since the protein scaffold is rather flexible, the resulting energetic and structural disorder gives rise to a complex…
The ground state and excited state resonance dipole-dipole interaction energy between two elongated conducting molecules are explored. We review the current status for ground state interactions. This interaction is found to be of a much…
Electron-hole (e-h) capture in luminescent conjugated polymers (LCPs) is modeled by the dissipative dynamics of a multilevel electronic system coupled to a phonon bath. Electroinjected e-h pairs are simulated by a mixed quantum state, which…
Emissive organic radicals are currently of great interest for their potential use in the next generation of highly efficient organic light emitting diode (OLED) devices and as molecular qubits. However, simulating their optoelectronic…
Two-photon excitation is an attractive means for controlling chemistry in both space and time. Isoenergetic one- and two-photon excitations (OPE and TPE) in non-centrosymmetric molecules are often assumed to reach the same excited state…
We explore the properties of steady-state Fano coherences generated in a three-level V-system continuously pumped by polarized incoherent light in the absence of coherent driving. The ratio of the stationary coherences to excited-state…
The temperature dependence of the energy relaxation of photoexcited (PE) carriers is used as a probe of the electronic structure of YBa_2Cu_3O_(7-d) in the insulating d~0.8 and metallic d~0.1 phases. The energy relaxation rate to phonons is…
Excitation energy transfer (EET) in an organic/inorganic nanohybrid system, composed of a single \textit{para}-sexiphenyl (6P) molecule physisorbed on a finite-sized MoS$_2$ nanoflake, is investigated theoretically. % The electronic…
We have compared the ground-state energy of several observed or proposed " 2 \sqrt{2} x 2 \sqrt{2} oxygen (O) ordered superstructures " (from now on HS), with those of "chain superstructures" (CS) (in which the O atoms of the basal plane…
Organic semiconductors are disordered molecular solids and as a result, their internal charge dynamics and ultimately, the performance of the optoelectronic devices they constitute, are governed by energetic disorder. To ascertain how…
Bi possesses intriguing properties due to its large spin-orbit coupling, e.g. as a constituent of topological insulators. While its electronic structure and the dynamics of electron-phonon coupling have been studied in the past,…
Atomic negative ions are fragile quantum systems in which correlation among the valence electrons plays a very important role. For doubly excited states correlation becomes dominant. Photodetachment is the process where a negative ion…
We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to…
X-ray diffraction pattern and Raman spectrum authenticate the monoclinic P21/n structure of polycrystalline Pr$_2$ZnMnO$_6$ (PZM) synthesized by the solid-state reaction technique. The X-ray photoemission spectrum suggests the existence of…