Related papers: Atomistic QM/Classical Modeling of Surface-Enhance…
We study a highly controllable perfect plasmonic absorber -- a thin metamaterial layer which possess balanced electric and magnetic responses in some frequency range. We show that this regime is compatible with both metal-backed variant of…
We present theoretical calculations for the absorption properties of protein-coated gold nanoparticles on graphene and graphite substrates. As the substrate is far away from nanoparticles, numerical results show that the number of protein…
Adsorption of tetramer built of four identical spheres was studied numerically using the Random Sequential Adsorption (RSA) algorithm. Tetramers were adsorbed on a two dimensional, flat and homogeneous surface. Two different models of the…
The design of novel functional materials in silico is severely hampered by the lack of robust and computationally efficient methods for describing both molecular absorbance and screening on substrates. Here we employ our hybrid…
Two-photon absorption in molecules, of significance for high-resolution imaging applications, is typically characterised with low cross sections. To enhance the TPA signal, one effective approach exploits plasmonic enhancement. For this…
We discuss the Surface-Plasmon-Resonance (SPR) technique based on Fourier -Transform - InfraRed (FTIR) spectrometry. We explore the potential of the infrared surface plasmon resonance technique for biological studies in aqueous solutions…
We introduce and discuss a hybrid quantum-mechanics molecular-mechanics (QM-MM) approach for Car-Parrinello DFT simulations with pseudopotentials and planewaves basis, designed for the treatment of periodic systems. In this implementation…
A detailed analysis of electromechanically induced absorption (EMIA) in a circuit nano-electromechanical hybrid system consisting of a superconducting microwave resonator coupled to a nanomechanical beam is presented. By performing two-tone…
In this paper, we evaluate of the adsorption/ desorption of ammonia molecules on a graphene surface by studying the Fermi level shift. Based on a physically plausible model, the adsorption and desorption rates of ammonia molecules on…
Plasmonic devices, fundamental to modern nanophotonics, exploit resonant interactions between light and free electrons in metals to achieve enhanced light trapping and electromagnetic field confinement. However, modeling their complex,…
Atomic Force Microscopy - Infrared (AFM-IR) spectroscopy allows spectroscopic studies in the mid-infrared spectral region with a spatial resolution better than 50 nm. We show that the high spatial resolution can be used to perform…
Integrating graphene with plasmonic nanostructures results in multifunctional hybrid systems with enhanced performance for numerous applications. In this work, we take advantage of the remarkable mechanical properties of graphene to combine…
The study explores machine learning methods for revealing chemical sensitivity in Helium spin-echo spectroscopy, in order to obtain ultra-sensitive surface analytic technique. We model bi-species co-adsorbed systems and demonstrate that by…
The infrared range optical absorption mechanism of Carbon-Copper composite thin layer coated on the Diamond-Like Carbon (DLC) buffer layer has been investigated. By consideration of weak interactions between copper nanoparticles in their…
We explored the surface enhanced Raman scattering (SERS) activity of the InN nanostructures, possessing surface electron accumulation (SEA), using the Rhodamine 6G (R6G) molecules. SERS enhancement is observed for the InN nanostructures…
A novel fully atomistic multiscale classical approach to model the optical response of solvated real-size plasmonic nanoparticles (NPs) is presented. The model is based on the coupling of the Frequency Dependent Fluctuating Charges and…
Fundamental upper bounds are given for the plasmonic multipole absorption and scattering of a rotationally invariant dielectric sphere embedded in a lossy surrounding medium. A specialized Mie theory is developed for this purpose and when…
The transparency of silicon in the infrared region enables the design of nano/microstructures for implementation in devices to harvest the infrared (IR) part of the solar spectrum. Herein we report a strategy that uses arrays of inverted…
We devise a theory of adsorption of low-energy atoms on suspended graphene membranes maintained at 10 K based on a model of atom-acoustic phonon interactions. Our primary technique includes a non-perturbative method which treats the…
Spatial interferometry, based on the measurement of total absorbed power, can be used to determine the state of coherence of the electromagnetic field to which any energy-absorbing structure is sensitive. The measured coherence tensor can…