Related papers: Density Functional Tight-Binding Captures Plasmon-…
The dissociation of H$_2$ molecules on stretched Au nanowires and its effect on the nanowire conductance are analyzed using a combination of Density Functional (DFT) total energy calculations and non-equilibrium Keldish-Green function…
Metal nanoparticles are excellent light absorbers. The absorption processes create highly excited electron-hole pairs and recently there has been interest in harnessing these hot charge carriers for photocatalysis and solar energy…
We report on the role of plasmonic resonances in determining the delicate balance between scattering and absorption of light in nanometric particle arrays applied to the front surface of solar cells. Strong parasitic absorption is shown to…
The dissociation of hydrogen molecules on the \gamma-U(100) surface is systematically studied with the density functional theory method. Through potential energy surface calculations, we find that hydrogen molecules can dissociate without…
The possibility of creating heterostructure of two-dimensional (2D) materials has emerged as a viable route towards realizing novel optoelectronic devices. However, the low light absorption due to their small absorption cross section,…
Using density functional theory (DFT), the structural, mechanical, electronic, thermal, and optical properties of Hf2AB (A = Pb, Bi) borides were studied, considering the pressure effect up to 50 GPa. The lattice constants were found to be…
We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we…
We study the plasmonic properties of coupled noble-metal nanochains in the case of different number of coupled chains and doping by different transition-metal (TM) atoms within the time-dependent density-functional theory (TDDFT) approach.…
Photonic crystals (PCs) with localized optical cavity modes arising from topological domain-wall line defects are simulated for optical biosensing by numerical solution of Maxwell's equations. These consist of a square lattice of square…
We demonstrate the direct photothermal probing and mapping of single plasmonic nanostructures via the temperature induced detuning of nanomechanical string resonators. Single Au nanoslits are illuminated with a low-power polarized focused…
We demonstrate that a near-dissociation photoassociation resonance can be used to create a deeply bound molecular sample of ultracold NaCs. To probe the resulting vibrational distribution of the sample, we use a new technique that can be…
Understanding the nature of the photoexcitation and ultrafast charge dynamics pathways in organic halide perovskite nanocubes and their aggregation into superlattices is key for the potential applications as tunable light emitters, photon…
The coherent oscillations of mobile charge carriers near the surface of good conductors-surface plasmons-are been exploited in many applications in information technologies, clean energy, high-density data storage, photovoltaics, chemistry,…
Anatase TiO$_2$ is among the most studied materials for light-energy conversion applications, but the nature of its fundamental charge excitations is still unknown. Yet it is crucial to establish whether light absorption creates…
Hafnia-based nanostructures and other high-k dielectrics are promising wide-gap materials for developing new opto- and nanoelectronics devices. They possess a unique combination of physical and chemical properties such as insensitivity to…
Electrically connected and plasmonically enhanced molecular junctions combine the optical functionalities of high field confinement and enhancement (cavity function), and of high radiative efficiency (antenna function) with the electrical…
From a structural point of view, plasmonic nanoparticles are always at least two-layer structures with a dielectric layer of stabilizing, targeting, fluorescent, Raman, or other functional molecules. To optimize the optical properties of…
Ultrafast lattice deformation of tens to hundreds of nanometer thick metallic crystals, after femtosecond laser excitation, was measured directly using 8.04 keV subpicosecond x-ray and 59 keV femtosecond electron pulses. Coherent phonons…
Harnessing short-lived photoexcited electron-hole pairs in metal nanostructures has the potential to define a new phase of optoelectronics, enabling control of athermal mechanisms for light harvesting, photodetection and photocatalysis. To…
We show that plasmonic solid-state nanopores with tunable hole diameter can be prepared via a photocatalytic effect resulting from the enhanced electromagnetic field inside a metallic ring prepared on top of a dielectric nanotube. Under…