Orbital-free methods for plasmonics: Linear response

F Della Sala - The Journal of chemical physics, 2022 - pubs.aip.org
Plasmonic systems, such as metal nanoparticles, are widely used in different areas of
application, going from biology to photovoltaics. The modeling of the optical response of …

Multiscale modeling and simulation of surface‐enhanced spectroscopy and plasmonic photocatalysis

WZ Liang, J Huang, J Sun, P Zhang… - Wiley Interdisciplinary …, 2023 - Wiley Online Library
Plasmonic metal nanoparticles (PMNPs) are capable of localized surface plasmon
resonance (LSPR) and have become an important component in many experimental …

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 …

Influence of plasmons on the luminescence properties of solvatochromic merocyanine dyes with different solvatochromism

NK Ibrayev, EV Seliverstova, RR Valiev… - Physical Chemistry …, 2023 - pubs.rsc.org
The effect of localized surface plasmon resonance (LSPR) of a system consisting of a highly
dipolar merocyanine dye and a silver nanoparticle (NP) was studied experimentally and …

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 …

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 …

Bioinspired synthesis of multifunctional silver nanoparticles for enhanced antimicrobial and catalytic applications with tailored SPR properties

SB Parit, VC Karade, RB Patil, NV Pawar… - Materials Today …, 2020 - Elsevier
In the developing nanotechnology world, numerous attempts have been made to prepare
the nobel metallic nanoparticles (NPs), which can improve their applicability in diverse …

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 …

[HTML][HTML] Evaluation of molecular photophysical and photochemical properties using linear response time-dependent density functional theory with classical …

WZ Liang, Z Pei, Y Mao, Y Shao - The Journal of Chemical Physics, 2022 - pubs.aip.org
Time-dependent density functional theory (TDDFT) based approaches have been
developed in recent years to model the excited-state properties and transition processes of …

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 …