相关论文: Optically and electrically excited intermediate el…
The electronic defect states resulting from doping $^{229}$Th in CaF$_2$ offer a unique opportunity to excite the nuclear isomeric state $^{229m}$Th at approximately 8 eV via electronic bridge mechanisms. We consider bridge schemes…
Spectroscopic properties of molecules holds great importance for the description of the molecular response under the effect of an UV/Vis electromagnetic radiation. Computationally expensive ab initio (e.g. MultiConfigurational SCF, Coupled…
Excess heat in organic light emitting diodes (OLEDs) that is produced during their operation may accelerate their degradation and may cause an inhomogeneous brightness distribution, in particular in large area OLEDs. Assessing the…
Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate…
Exciton binding energies of hundreds of meV and strong light absorption in the optical frequency range make transition metal dichalcogenides (TMDs) promising for novel optoelectronic nanodevices. In particular, atomically thin TMDs can be…
There is an enormous potential in applying conjugated polymers in novel organic opto-electronic devices such as light emitting diodes and solar cells. Although prototypes and first products exist, a comprehensive understanding of the…
Transition metal dichalcogenides (TMDs) exhibit a remarkable exciton physics including optically accessible (bright) as well as spin- and momentum-forbidden (dark) excitonic states. So far the dark exciton landscape has not been revealed…
Ultrafast heating of solids with modern X-ray free electron lasers (XFELs) leads to a unique set of conditions that is characterized by the simultaneous presence of heated electrons in a cold ionic lattice. In this work, we analyze the…
Hybrid van der Waals heterostructures of organic semiconductors and transition metal dichalcogenides (TMDs) are promising candidates for various optoelectronic devices, such as solar cells and biosensors. Energy-transfer processes in these…
The tight-binding model is closely associated with the modified random-phase approximation to thoroughly explore the electron-electron interactions in trilayer AB-stacked graphene. The intralayer and interlayer atomic/Coulomb interactions…
In the last decade atomically thin 2D materials have emerged as a perfect platform for studying and tuning light-matter interaction and electronic properties in nanostructures. The optoelectronic properties in layered materials such as…
Interfacial ultrafast electron migration processes are simulated in finite cluster models of dye-sensitized solar cells within a single active electron approach. Initially, three different donor-acceptor $\pi$-conjugated dyes supported on…
Phosphorescent organic light-emitting diodes (PhOLEDs) are widely used in the display industry. In PhOLEDs, cyclometalated Ir(III) complexes are the most widespread triplet emitter dopants to attain red, e.g., Ir(piq)3 (piq =…
An extended thermal particle boundary condition is devised to more efficiently and accurately model laser-plasma interactions in overdense plasmas. Particle-in-cell simulations of such interactions require many particles per cell, and a…
We present a theoretical study of terahertz radiation-induced transitions between attractive and repulsive Fermi polaron states in monolayers of transition metal dichalcogenides. Going beyond the simple few-particle trion picture, we…
Novel equations for the electric dipole polarizability $\alpha_{_{E1}}$ of low-lying excited states in atomic nuclei -- and the related $(-2)$ moment of the total photo-absorption cross section, $\sigma_{_{-2}}$ -- are inferred in terms of…
Conical intersections constitute the conceptual bedrock of our working understanding of ultrafast, nonadiabatic processes within photochemistry (and photophysics). Accurate calculation of potential energy surfaces within the vicinity of…
Excitation energies of light-emitting organic conjugated polymers have been investigated with time-dependent density functional theory (TDDFT) within the adiabatic approximation for the dynamical exchange-correlation potential. Our…
Weakly spin-orbit coupled electron and hole spins in organic light-emitting diodes (OLEDs) constitute near-perfect two-level systems to explore the interaction of light and matter in the ultrastrong-drive regime. Under such highly…
We have measured the intricate temperature dependence of the Co L2,3 x-ray absorption spectra (2p-3d excitations) of CoO. To allow for accurate total electron yield measurements, the material has been grown in thin film form on a metallic…