Coupling molecular systems with plasmonic nanocavities: A quantum dynamics approach

Z Jamshidi, K Kargar, D Mendive-Tapia… - The Journal of …, 2023 - ACS Publications
Plasmonic nanoparticles have the capacity to confine electromagnetic fields to the
subwavelength regime and provide strong coupling with few or even a single emitter at room …

Stepwise oxidation of refractory pyrite using persulfate for efficient leaching of gold and silver by an eco-friendly copper (II)-glycine-thiosulfate system

L Hou, AL Valdivieso, A Robledo-Cabrera… - Powder Technology, 2024 - Elsevier
Chemical oxidation is a promising pretreatment method for refractory pyrite enclosure to
enhance Au/Ag extraction. Here, persulfate was employed for stepwise oxidation of a …

Connectivity between Static Field and Continuous Wave Field Effects on Excitation-Induced H2 Activation

Y Wang, CM Aikens - The Journal of Physical Chemistry C, 2023 - ACS Publications
Due to the tremendous applications of the plasmon resonance excitation process, such as
improvements in catalytic efficiency due to plasmonic enhancement and/or hot-electron …

Computational model for electrochemical surface-enhanced Raman scattering: key role of the surface charges and synergy between electromagnetic and charge …

D Aranda, F Garcia-Gonzalez… - Journal of Chemical …, 2022 - ACS Publications
We present a computational model for electrochemical surface-enhanced Raman scattering
(EC-SERS). The surface excess of charge induced by the electrode potential (V el) was …

Modeling the Photo-Absorption Properties of Noble Metal Nanoclusters: A Challenge for Density-Functional Theory

P Seveur, L Boubekeur-Lecaque… - The Journal of …, 2023 - ACS Publications
Modeling the emergence of the plasmon resonance in noble metal nanoclusters is still a
challenge to overcome for theoretical chemistry. The systems are indeed too small to neglect …

[HTML][HTML] Advances in modeling plasmonic systems

F Della Sala, R Pachter, M Sukharev - The Journal of chemical physics, 2022 - pubs.aip.org
The field of plasmonics has been in the spotlight in physics, 1 materials science, 2 chemistry,
3 and biology 4 for more than a decade, with relevant applications in photovoltaics, 5 …

The role of the coupling matrix elements in time-dependent density functional theory on the simulation of core-level spectra of transition metal complexes

S Pak, DR Nascimento - Electronic Structure, 2024 - iopscience.iop.org
Time-dependent density functional theory (TD-DFT) stands out as an efficient tool for
computing core-level spectra in large molecules, particularly transition metal complexes …

Quantitative analysis of charge transfer plasmons in silver nanocluster dimers using semiempirical methods

Q Sun, YS Ceylan, RLM Gieseking - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Plasmonic metal nanoclusters are widely used in chemistry, nanotechnology, and
biomedicine. In metal nanocluster dimers, coupling of the plasmons leads to the emergence …

[HTML][HTML] The Influence of Geometry on Plasmonic Resonances in Surface-and Tip-Enhanced Raman Spectroscopy

L He, DRT Zahn, TI Madeira - Plasmonic Nanostructures-Basic …, 2022 - intechopen.com
Plasmonic nanostructures have attracted growing interest over the last decades due to their
efficiency in improving the performance in various application fields such as catalysis …

A computational approach for electrochemical SERS. Key role of the surface charges and synergy between EM and CT mechanisms.

D Aranda, F García-González, FJ Ávila-Ferrer… - 2022 - riuma.uma.es
We present a computational approach for electrochemical Surface-Enhanced Raman
Scattering (EC-SERS). The surface excess of charge induced by the electrode potential …