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We theoretically study pump-photon-energy-dependent pathways of a photoinduced dimer-Mott-insulator-to-metal transition, on the basis of numerical solutions to the time-dependent Schr\"odinger equation for the exact many-body wave function…

Bridged triarylamines, so-called N-heterotriangulenes (N-HTAs) are promising organic semiconductors for applications in optoelectronic devices. Thereby the electronic structure at organic/metal interfaces and within thin films as well as…

Intense "blue-green" phosphorescence is commonly observed in near colourless lab-grown high-pressure high-temperature (HPHT) diamonds following optical excitation at or above the indirect bandgap. We have employed a holistic combination of…

Two-dimensional (2D) crystals of semiconducting transition metal dichalcogenides (TMD) absorb a large fraction of incident photons in the visible frequencies despite being atomically thin. It has been suggested that the strong absorption is…

In a recently performed experiment Korovyanko et al [Phys. Rev. B 67, 035114 (2003)] have measured the photo-induced absorption (PA) spectrum of phenyl-disubstituted polyacetylenes (PDPA) from 1$B_{u}$ and 2$A_{g}$ excited states. In…

The dynamics of pigment-pigment and pigment-protein interactions in light-harvesting complexes is studied with a novel approach which combines molecular dynamics (MD) simulations with quantum chemistry (QC) calculations. The MD simulations…

Dual fluorescence in 4-(dimethylamino)benzonitrile (DMABN) and its derivatives in polar solvents has been studied extensively for the past several decades. An intramolecular charge transfer (ICT) minimum on the excited state potential…

The great progress in organic photovoltaics (OPV) over the past few years has been largely achieved by the development of non-fullerene acceptors (NFAs), with power conversion efficiencies now approaching 20%. To further improve device…

Within a rigid-band correlated electron model for oligomers of poly-(paraphenylene) (PPP) and poly-(paraphenylenevinylene) (PPV), we show that there exist two fundamentally different classes of two-photon A$_g$ states in these systems to…

The present work reports new total photoabsorption cross sections for the $N=Z$ nuclei in the $sd$-shell $^{20}$Ne, $^{24}$Mg, $^{28}$Si, $^{32}$S, $^{36}$Ar, and for $^{26}$Mg. The results are compared to predictions of a data-driven…

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional…

In order to reveal the relaxation mechanism of photogenerated charge-transfer excitations in quasi-one-dimensional halogen-bridged diplatinum complexes, we calculate the low-lying adiabatic potential energy surfaces of a one-dimensional…

We study the light-absorbing states of the mixed-halide perovskite CH$_{3}$NH$_{3}$PbI$_2$Cl and tri-iodide perovskite CH$_{3}$NH$_{3}$PbI$_3$ with density functional and many-body calculations to explain the desirable photovolatic features…

We present a dynamical simulation scheme to model the highly correlated excited state dynamics of linear polyenes. We apply it to investigate the internal conversion processes of carotenoids following their photoexcitation. We use the…

We demonstrate that blending fluorinated molecules in PEDOT:PSS hole transport layers (HTL) induces charge transfers which impact on both charge extraction and photogeneration within organic photovoltaic (OPV) devices. OPVs fabricated with…

We show that two major carrier excitation mechanisms are present in II-VI self-assembled quantum dots. The first one is related to direct excited state - ground state transition. It manifests itself by the presence of sharp and intense…

Organic bulk-heterojunctions (BHJ) and solar cells containing the trimetallic nitride endohedral fullerene 1-[3-(2-ethyl)hexoxy carbonyl]propyl-1-phenyl-Lu3N@C80 (Lu3N@C80-PCBEH) show an open circuit voltage (VOC) 0.3 V higher than similar…

A combination of transient photovoltage (TPV), voltage dependent charge extraction (CE) and time delayed collection field (TDCF) measurements is applied to poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]…

Photoluminescence of polycrystalline hexagonal boron nitride (hBN) was measured by means of time- and energy-resolved spectroscopy methods. The observed bands are related to DAP transitions, impurities and structural defects. The excitation…

We compute the time-resolved photoemission spectrum after photo-doping in a two-dimensional Mott-Hubbard insulator. We find that the relaxation rate of high-energy photo-doped electrons in the paramagnetic phase scales with the strength of…