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We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified…
We present a microscopic model for surface-enhanced Raman scattering (SERS) from molecules adsorbed on small noble-metal nanoparticles. In the absence of direct overlap of molecular orbitals and electronic states in the metal, the main…
We predict theoretically that stable subwavelength plasmonic lattice solitons (PLSs) are formed in arrays of metallic nanowires embedded in a nonlinear medium. The tight confinement of the guiding modes of the metallic nanowires, combined…
We have observed the compensation of loss in metal by gain in interfacing dielectric in the mixture of aggregated silver nanoparticles and rhodamine 6G dye. The demonstrated six-fold enhancement of the Rayleigh scattering is the evidence of…
From understanding the sand on the beach to the foam on your beer, soft sphere simulations have been crucial to the study of the amorphous world around us. However, many of the materials we interact with on a daily basis aren't comprised of…
The creation of nanoscale lasers that operate above a coherent threshold is a challenging problem. We propose a way to circumvent this issue using systems in which a strong coupling regime is achieved between the light and the active…
Dynamic surface-enhanced Raman spectroscopy (SERS) is nowadays one of the most interesting applications of SERS, in particular for single molecule studies. In fact, it enables the study of real-time processes at the molecular level. This…
We investigate how proximity to a metal nanostructure, particularly to a flat mirror or a cavity confined between two mirrors, affects the vibronic structure of Raman scattering signals. We find that such proximity, particularly for the…
Localized surface plasmon resonances have recently attracted considerable attention due to their ability to dramatically enhance near-field optical intensities and boost nanoscale light-matter interactions. Here we demonstrate unambiguously…
Optical embedded eigenstates are localized modes of an open structure that are compatible to radiation yet they have infinite lifetime and diverging quality factors. Their realization in nanostructures finite in all dimensions is inherently…
We present a computational study of assembling carbon clusters and nanophases in space from carbon aggregations. Geometry optimizations and Density-functional-based tight-binding (SCC-DFTB) dynamics methods are employed to predict carbon…
In a recent one-dimensional numerical fluid simulation study [Saxena et al., Phys. Plasmas 13,032309 (2006)], it was found that an instability is associated with a special class of one-dimensional nonlinear solutions for modulated light…
We present a simple method to prove the presence of an organic shell around silver nanoparticles. This method is based on the comparison between optical extinction measurements of isolated nanoparticles and Mie calculations predicting the…
Single-layer and bilayer carbon and hexagonal boron nitride nanoscrolls as well as nanoscrolls made of bilayer graphene/hexagonal boron nitride heterostructure are considered. Structures of stable states of the corresponding nanoscrolls…
We study ground states of a hybrid system consisting of a polymer and an attractive nanowire by means of computer simulations. Depending on structural and energetic properties of the substrate, we find different adsorbed polymer…
Nanotubes of various kinds have been prepared in the last decade, starting from the discovery of carbon nanotubes. Recently other types of nanotubes including metallic (Au), inorganic (TiO2, HfS2, V7O16, CdSe, MoS2), and polymeric…
The self-assembled monolayers of alkane thiolates on Ag (111) surfaces and nanoparticles are studied using molecular dynamics. Reactive force fields allow simulations of very large systems such as nanoparticles of 10 nm. Stable (sqrt(7) X…
New type of plasmonic nanoparticles - silver octopods that can be synthesized with a variety of shapes - have been demonstrated to show versatile optical response using the discrete dipole approximation. The octopods show a complex behavior…
Metal nanoparticles are the most frequently used nanostructures in plasmonics. However, besides nanoparticles, metal nanowires feature several advantages for applications. Their elongation offers a larger interaction volume, their…
We present a method to determine the equilibrium geometry of large atomistic systems with linear scaling. It is based on a separate treatment of long and short wavelength components of the forces. While the rapidly varying part is handled…