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When designing molecular functional materials, the properties of the active specie, the dye, must be optimized fully accounting for environmental effects. Here we present an effective model to account for the spectroscopic effects of the…
Recent experimental studies of molten metal droplets wetting high temperature reactive substrates have established that the majority of triple-line motion occurs when inertial effects are dominant. In light of these studies, this paper…
Photoinduced charge-transfer excitations are key to understand the primary processes of natural photosynthesis and for designing photovoltaic and photocatalytic devices. In this paper, we use Bacteriochlorophyll dimers extracted from the…
Producing advanced quantum states of light is a priority in quantum information technologies. While remarkable progress has been made on single photons and photon pairs, multipartite correlated photon states are usually produced in purely…
A geometrical model which captures the main ingredients governing atom-diatom collinear chemical reactions is proposed. This model is neither near-integrable nor hyperbolic, yet it is amenable to analysis using a combination of the recently…
A common thread in designing electrochemically-based renewable energy devices comprises materials that exploit nano-scale morphologies, e.g., supercapacitors, batteries, fuel cells, and bulk heterojunction organic photovoltaics. In these…
To explore nontrivial photoinduced modulations of charge correlations, we theoretically study photoinduced dynamics in quarter-filled extended Hubbard models with competing intersite repulsive interactions on triangular lattices with…
In many-cycle plane waves at intermediate intensities, the nonlinear trident process can be well-approximated by the two sequential steps of nonlinear Compton scattering of a polarised real photon followed by its transformation into an…
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…
For a model atom with the $p^3$ valence shell we construct consistent three- and two-active electrons models enabling their direct comparison. Within these models, we study the influence of the third active electron on the double ionization…
At photoelectrosynthetic interfaces, an electrochemical reaction is driven by excited charge-carriers from a semiconducting photoabsorber. Structure and composition of this interface determine both the electronic and electrochemical…
Photon upconversion based on triplet-triplet annihilation (TTA) of excited triplet molecules is drawing attention due to its applicability for weak incident light, possessing a potential for improving overall efficiencies of solar energy…
Bose condensed light can form new phases [1] in a dye filled cavity due to the presence of the orientational disorder created by dye molecules which are essentially frozen on the time scale of the photonic thermalization (few ps). At longer…
Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) show increased efficiencies due to efficient upconversion of non-emissive triplet states to emissive singlets states via reverse intersystem…
Classical molecular dynamics simulations are performed on LiF in the framework of the polarizable ion model. The overlap-repulsion and polarization terms of the interaction potential are derived on a purely non empirical, first-principles…
Photodoped states are widely observed in laser-excited Mott insulators, in which charge excitations are quickly created and can exist beyond the duration of the external driving. Despite the fruitful experimental explorations, theoretical…
Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structural and dynamical properties of polymer electrolytes close…
We report an optical technique that yields an enhancement of single-molecule photostability, by greatly suppressing photobleaching pathways which involve photoexcitation from the triplet state. This is accomplished by dynamically switching…
Light-matter interaction dynamics is governed by the strength of local coupling constants, tailored by surrounding electromagnetic structures. Characteristic decay times in dipole-allowed fluorescent transitions are much faster than…
Singlet fission in tetracene generates two triplet excitons per absorbed photon. If these triplet excitons can be effectively transferred into silicon (Si) then additional photocurrent can be generated from photons above the bandgap of Si.…