相关论文: Optically and electrically excited intermediate el…
Organic semiconductors show complex phenomena due to their high energetic disorder. A striking example is the possibility of an increased effective temperature T_eff of the charge carrier distribution relative to the lattice temperature,…
Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…
The bound electron-hole pairs known as excitons govern the optical properties of insulating solids. While their behavior in equilibrium is well-understood theoretically, the nonequilibrium regime at high excitation densities-where phenomena…
We develop a quantum master equation (QME) approach to investigate the electroluminesence (EL) of molecules confined between metallic electrodes and coupled to quantum plasmonic modes. Within our general state-based framework, we describe…
We observe the low-lying excitations of a molecular dimer formed by two electrons in a GaAs semiconductor quantum dot in which the number of confined electrons is tuned by optical illumination. By employing inelastic light scattering we…
Density functional theory calculations have been carried out to investigate single-layer phosphorene functionalized with two kinds of organic molecules, i.e. an electrophilic molecule tetracyano-p-quinodimethane (TCNQ) as electron acceptor…
Improving the efficiency and stability of organic light-emitting diodes (OLEDs) will further expand their present success in display applications. Triplet exciton-polaron quenching (TPQ) is an important cause of limited efficiency and…
In this study, the optical response to a terahertz pulse was investigated in the transition metal chalcogenide Ta$_2$NiSe$_5$, a candidate excitonic insulator. First, by irradiating a terahertz pulse with a relatively weak electric field…
The concept of modifying molecular dynamics in strongly coupled exciton-polariton systems is an emerging topic in photonics due to its potential to produce customized chemical systems with tailored photophysical properties. However, before…
We studied the excitation dynamics of a finite quantum system with an intense optical near field (ONF) from a perspective of light-dressed states. A simple model consisting of a single electron and a nano-sized short dipole source were…
The protected electron states at the boundaries or on the surfaces of topological insulators (TIs) have been the subject of intense theoretical and experimental investigations. Such states are enforced by very strong spin-orbit interaction…
Lewis acids like tris(pentafluorophenyl)borane (BCF) offer promising routes for efficient $p$-doping of organic semiconductors. The intriguing experimental results achieved so far call for a deeper understanding of the underlying doping…
We investigate the viability of highly efficient organic solar cells (OSCs) based on non-fullerene acceptors (NFA) by taking into consideration efficiency loss channels and stability issues caused by triplet excitons (TE) formation. OSCs…
We have calculated several low-lying Charge Transfer (CT) excited-state energies for four non-covalently bound dyads composed of a sulfonated-ZnPc coupled to C60. Our results show that the di- and tri-sulfonated systems yield a CT state as…
Charge-transfer excitons (CTX) at organic donor/acceptor interfaces are considered important intermediates for charge separation in photovoltaic devices. Crystalline model systems provide microscopic insights into the nature of such states…
Manipulation of spin and valley degrees of freedom is a key step towards realizing novel quantum technologies, for which atomically thin transition metal dichalcogenides (TMDCs) have been established as promising candidates. In monolayer…
As several photovoltaic materials experimentally approach the Shockley-Queisser limit, there has been a growing interest in unconventional materials and approaches with the potential to cross this efficiency barrier. One such candidate is…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
The orientation of luminescent molecules in organic light-emitting diodes (OLEDs) strongly influences device performance. However, our understanding of the factors controlling emitter orientation is limited as current measurements only…
We extend our theory of electron--hole recombination in organic light emitting diodes to investigate the possibility that high energy singlet and triplet excited states with large electron--hole separations are generated in such processes,…