Platinum nanoplatforms: classic catalysts claiming a prominent role in cancer therapy

JI Garcia-Peiro, J Bonet-Aleta, J Santamaria… - Chemical Society …, 2022 - pubs.rsc.org
Platinum nanoparticles (Pt NPs) have a well-established role as a classic heterogeneous
catalyst. Also, Pt has traditionally been employed as a component of organometallic drug …

Real-time time-dependent electronic structure theory

X Li, N Govind, C Isborn, AE DePrince III… - Chemical …, 2020 - ACS Publications
Real-time electronic structure methods provide an unprecedented view of electron dynamics
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …

Atomic-scale lightning rod effect in plasmonic picocavities: A classical view to a quantum effect

M Urbieta, M Barbry, Y Zhang, P Koval… - ACS …, 2018 - ACS Publications
Plasmonic gaps are known to produce nanoscale localization and enhancement of optical
fields, providing small effective mode volumes of about a few hundred nm3. Atomistic …

[HTML][HTML] GPAW: An open Python package for electronic structure calculations

JJ Mortensen, AH Larsen, M Kuisma… - The Journal of …, 2024 - pubs.aip.org
We review the GPAW open-source Python package for electronic structure calculations.
GPAW is based on the projector-augmented wave method and can solve the self-consistent …

Hot-carrier generation in plasmonic nanoparticles: the importance of atomic structure

TP Rossi, P Erhart, M Kuisma - ACS nano, 2020 - ACS Publications
Metal nanoparticles are attractive for plasmon-enhanced generation of hot carriers, which
may be harnessed in photochemical reactions. In this work, we analyze the coherent …

Predicting the size of silver nanoparticles from their optical properties

A Amirjani, F Firouzi, DF Haghshenas - Plasmonics, 2020 - Springer
In this study, localized surface plasmon resonance (LSPR) of the spherical silver
nanoparticles (AgNPs) was evaluated based on experimental and theoretical viewpoints. In …

Localized surface plasmon resonance properties of green synthesized silver nanoparticles

N Adrianto, AM Panre, NI Istiqomah, M Riswan… - Nano-Structures & Nano …, 2022 - Elsevier
Silver (Ag) and silver-polyvinylpyrrolidone (Ag-PVP) nanoparticles (NPs) were effectively
synthesized by a green synthesis method using Moringa oleifera with various PVP …

Hot-carrier transfer across a nanoparticle–molecule junction: The importance of orbital hybridization and level alignment

J Fojt, TP Rossi, M Kuisma, P Erhart - Nano Letters, 2022 - ACS Publications
While direct hot-carrier transfer can increase photocatalytic activity, it is difficult to discern
experimentally and competes with several other mechanisms. To shed light on these …

Chiral Superatomic Nanoclusters Ag47 Induced by the Ligation of Amino Acids

WD Liu, JQ Wang, SF Yuan, X Chen… - Angewandte Chemie …, 2021 - Wiley Online Library
Silver nanoclusters containing Ag0 atoms protected by amino acids were synthesized and
characterized. Chiral superatomic silver nanoclusters [Ag47L12 (C≡ CtBu) 16] BF4 (L= l‐/d …

Ultrastrong coupling of a single molecule to a plasmonic nanocavity: A first-principles study

M Kuisma, B Rousseaux, KM Czajkowski… - ACS …, 2022 - ACS Publications
Ultrastrong coupling (USC) is a distinct regime of light-matter interaction in which the
coupling strength is comparable to the resonance energy of the cavity or emitter. In the USC …