Development of discrete interaction models for ultra-fine nanoparticle plasmonics

LK Sørensen, VS Gerasimov, SV Karpov… - Physical Chemistry …, 2024 - pubs.rsc.org
Plasmonics serves as a most outstanding feature of nanoparticle technology and is
nowadays used in numerous applications within imaging, sensing and energy harvesting …

Do we really need quantum mechanics to describe plasmonic properties of metal nanostructures?

T Giovannini, L Bonatti, P Lafiosca, L Nicoli… - ACS …, 2022 - ACS Publications
Optical properties of metal nanostructures are the basis of several scientific and
technological applications. When the nanostructure characteristic size is of the order of few …

Nature of the anomalous size dependence of resonance red shifts in ultrafine plasmonic nanoparticles

LK Sørensen, DE Khrennikov… - The Journal of …, 2022 - ACS Publications
Plasmonic red shifts of nanoparticles are commonly used in imaging technologies to probe
the character of local environments, and the understanding of their dependence on size …

CO2 adsorption and activation on Ag (1 1 1) surfaces in the presence of surface charge density: A static gas phase DFT study

MG Sandoval, J Walia, MSE Houache… - Applied Surface …, 2023 - Elsevier
The CO 2 reduction reaction on Ag in the presence of surface plasmons are of strong
interest in photocatalysis. Here, two Density Functional Theory (DFT) approaches are …

STRATIFY: a comprehensive and versatile MATLAB code for a multilayered sphere

IL Rasskazov, PS Carney, A Moroz - OSA Continuum, 2020 - opg.optica.org
We present a computer code for calculating near-and far-field electromagnetic properties of
multilayered spheres. STRATIFY is a one-of-a-kind open-source package that allows for …

Going beyond the limits of classical atomistic modeling of plasmonic nanostructures

P Lafiosca, T Giovannini, M Benzi… - The Journal of Physical …, 2021 - ACS Publications
Theoretical modeling of plasmonic phenomena is of fundamental importance for
rationalizing experimental measurements. Despite the great success of classical continuum …

A brief review on optical properties of planar metallic interfaces and films: from classical view to quantum description

AV Krasavin - Journal of Physics: Photonics, 2021 - iopscience.iop.org
With the rapid development of nanophotonics, metals play an ever increasing role in modern
optics. At the same time, optical properties of metals are more complex than it is usually …

Fully atomistic modeling of plasmonic bimetallic nanoparticles: nanoalloys and core-shell systems

L Nicoli, P Lafiosca, P Grobas Illobre, L Bonatti… - Frontiers in …, 2023 - frontiersin.org
The recently developed ω FQF μ model (ACS Photonics, 9, 3,025–3,034) is extended to
bimetallic nanoparticles, such as nanoalloys and core-shell systems. The method finds its …

Thermal degradation of optical resonances in plasmonic nanoparticles

LK Sørensen, DE Khrennikov, VS Gerasimov… - Nanoscale, 2022 - pubs.rsc.org
The dependence of plasmon resonance excitations in ultrafine (3–7 nm) gold nanoparticles
on heating and melting is investigated. An integrated approach is adopted, where molecular …

A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles: development and implementation

Z Rinkevicius, M Kaminskas, P Palevičius… - Physical Chemistry …, 2022 - pubs.rsc.org
We present a polarizable coarse-grained model for metal, metal oxide, and composite
metal/metal oxide nanoparticles with well-defined crystalline surfaces. The developed model …