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Large surface to volume ratios of semiconductor nanocrystals cause susceptibility to charge trapping, which can modify luminescence yields and induce single-particle blinking. Optical spectroscopies cannot differentiate between bulk and…
We evaluate the optical gap and Stokes shift of several candidate 1 nm silicon nanocrystal structures using density functional and quantum Monte Carlo (QMC) methods. We find that the combination of absorption gap calculations and Stokes…
We study the dark excitons at the interface of sharp lateral heterostructure of two-dimensional transition metal dichalcogenides. By introducing a low-energy effective Hamiltonian model, we find the energy dispersion relation of exciton and…
Lead halide perovskite nanocrystals are promising materials for classical and quantum light emission. To understand these outstanding properties, a thorough analysis of the band-edge exciton emission is needed which is not reachable in…
We study the dynamics of the contact between a pair of surfaces (with properties designed to mimic ruthenium) via molecular dynamics simulations. In particular, we study the contact between a ruthenium surface with a single nanoasperity and…
In this paper, we simulate a front surface inverted pyramidal grating texture on 2 to 400 micron thick silicon and optimize it to derive maximum photocurrent density from the cell. We identify a one size fits all front grating period of…
Hybrid perovskite thin films have demonstrated impressive performance for solar energy conversion and optoelectronic applications. However, further progress will benefit from a better knowledge of the intrinsic photophysics of materials.…
Metasurfaces enable flat optical elements by leveraging optical resonances in metallic or dielectric nanoparticles to obtain accurate control over the amplitude and phase of the scattered light. While highly efficient, these resonances are…
The energy level of the exciton around the $\Gamma$ point in CaF$_2$ at about 11.1 eV was investigated by reflection measurements on oriented surfaces using dispersed synchrotron radiation. A small but clear energy shift of the exciton…
We show how two different mobile-immobile type models explain the observation of negative diffusion of excitons reported in experimental studies in quasi-two-dimensional semiconductor systems. The main reason for the effect is the initial…
The structure, vibrational dynamics and thermodynamics of a chiral surface, Cu(532), has been calculated using a local approach and the harmonic approximation, with interatomic potentials based on the embedded atom method. The relaxation of…
Optical absorption is one of fundamental light-matter interactions. In most materials, optical absorption is a weak perturbation to the light. In this regime, absorption and emission are irreversible, incoherent processes due to strong…
Fractoluminescence experiments are performed on two kinds of silicate glasses. All the light spectra collected during dynamic fracture reveal a black body radiator behaviour, which is interpreted as a crack velocity-dependent temperature…
Exciton instability in graphene bilayer systems is studied in the case of a short-ranged Coulomb interaction and a finite voltage difference between the layers. Self-consistent exciton gap equations are derived and solved numerically and…
Excitons play a key role for the optoelectronic properties of hybrid systems. We apply near-field scanning optical microscopy (NSOM) with a $100\,\text{-nm}$ spatial resolution to study the photoluminescence of surface excitons (SX) in a…
Using helium-3 atom scattering, we have studied the adsorption kinetics, the structure and the diffusional dynamics of atomic hydrogen on the surface of a graphene monolayer on Ni(111). Diffraction measurements reveal a 4$^\circ$ rotated…
The interfacial structure and dynamics of water in a microscopically confined geometry is imaged in three dimensions and on millisecond time scales. We developed a 3D wide-field second harmonic microscope that employs structured…
The characterization of electronic properties of metal complexes embedded in membrane environments is of paramount importance to develop efficient photosensitizers in optogenetic applications. Molecular dynamics and QM/MM simulations…
Single air-suspended carbon nanotubes (length 2 - 5 microns) exhibit high optical quantum efficiency (7 - 20%) for resonant pumping at low intensities. Under ultrafast excitation, the photoluminescence dramatically saturates for very low…
The spectral properties of one exciton trapped in a self-assembled multi-layered quantum dot is obtained using a high precision variational numerical method. The exciton Hamiltonian includes the effect of the polarization charges, induced…