Related papers: Atomistic QM/Classical Modeling of Surface-Enhance…
The X-ray absorption (XA) spectra of aqueous ammonia and ammonium are computed using a combination of coupled cluster singles and doubles (CCSD) with different quantum mechanical and molecular mechanical embedding schemes. Specifically, we…
The interest to foster plasmonic applications at energies in the ultra-violet, has escalated research initiatives in clusters of unconventional plasmonic materials like aluminum and indium,for which the surface-plasmon resonance appears…
Surface plasmon resonance (SPR) has been intensively studied and widely employed for light trapping and absorption enhancement. In the mid-infrared and terahertz (THz) regime, graphene supports the tunable SPR via manipulating its Fermi…
Surface-Enhanced Raman Scattering (SERS) allows for detection and identification of molecular vibrational fingerprints in minute sample quantities. The SERS process can be also exploited for optical manipulation of molecular vibrations. We…
Surface integral equation (SIE) methods are of great interest for the numerical solution of Maxwell's equations in the presence of homogeneous objects. However, existing SIE algorithms have limitations, either in terms of scalability,…
We report a general macroscopic theory for the electrodynamic response of semi-infinite metals (SIMs). The theory includes the hitherto overlooked capacitive effects due to the finite spatial extension of a surface. The basic structure of…
We analyze the steady-state transmission of high-momentum (high-$k$) electromagnetic waves through metal-semiconductor multilayer systems with loss and gain in the near-infrared (NIR). Using a semi-classical optical gain model in…
This letter introduces an analytical model that gives the asymptotic cumulative number of molecules absorbed by spherical receivers in a diffusive multiple-input multiple-output (MIMO) molecular communication (MC) system with pointwise…
Over the past twenty years, the field of plasmonics has been revolutionized with the isolation and utilization of two--dimensional materials, particularly graphene. Consequently there is significant interest in rapid, robust, and highly…
Surface plasmon resonance (SPR) has been intensively investigated and widely exploited to trap the incident light and enhance absorption in the optoelectronic devices. The availability of graphene as a plasmonic material with strong…
We present an ab initio study of the structural and electronic properties of styrene molecules adsorbed on the dimerized Si(100) surface at different coverages, ranging from the single-molecule to the full monolayer. The adsorption…
The electromagnetic behavior of plasmonic structures can be predicted after discretizing and solving a linear system of equations, derived from a continuous surface integral equation (SIE) and the appropriate boundary conditions, using a…
We derived closed-form analytical expressions for the surface response functions (SRFs) for heterostructure. We investigate structures consisting of up to three layered, coated heterostructure of two-dimensional (2D) materials with a…
Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-body methods should be offering deep insights into these…
We show the theoretical and experimental combination of acoustic and optical methods for the in situ quantitative evaluation of the density, the viscosity and the thickness of soft layers adsorbed on chemically tailored metal surfaces. For…
This study investigated spectral changes in the absorption cross-sections of single strong coupling systems composed of single silver nanoparticle dimers and a few dye molecules during the quenching of surface-enhanced resonant Raman…
Applying direct growth and deposition of optical surfaces holds great promise for the advancement of future nanophotonic technologies. Here, we report on a chemical vapor deposition (CVD) technique for depositing amorphous selenium (a-Se)…
Significant efforts have been done in last two decades to develop nanoscale spectroscopy techniques owning to their great potential for single-molecule structural detection and in addition, to resolve open questions in heterogeneous…
A brief review of the SIESTA project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms. Applications of…
Absorption imaging is a commonly adopted method to acquire, with high temporal resolution, spatial information on a partially transparent object. It relies on the interference between a probe beam and the coherent response of the object. In…