Advances in modeling plasmonic systems

Sala, Fabio Della; Pachter, Ruth; Sukharev, Maxim

doi:10.1063/5.0130790

Cited by 7 publications

(1 citation statement)

References 125 publications

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“…These techniques aid in the identification of specific binding events, noise reduction, and the extraction of valuable information from complex sensor responses. 57 In the proceeding subsections, we review different classifications, experimental and theoretical designs, sensor and detection mechanisms, and limitations and future perspectives of recent plasmonic biosensors in detail.…”

Section: Plasmonic Biosensors For Cancer Diagnosismentioning

confidence: 99%

A review on hybridization of plasmonic and photonic crystal biosensors for effective cancer cell diagnosis

Kumela,

Gemta,

Hordofa

et al. 2023

Nanoscale Adv.

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Section: Plasmonic Biosensors For Cancer Diagnosismentioning

confidence: 99%

A review on hybridization of plasmonic and photonic crystal biosensors for effective cancer cell diagnosis

Kumela,

Gemta,

Hordofa

et al. 2023

Nanoscale Adv.

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The Analysis of Electron Densities: From Basics to Emergent Applications

Koch,

Pavanello,

Shao

et al. 2024

Chem. Rev.

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The electron density determines all properties of a system of nuclei and electrons. It is both computable and observable. Its topology allows gaining insight into the mechanisms of bonding and other phenomena in a way that is complementary to and beyond that available from the molecular orbital picture and the formal oxidation state (FOS) formalism. The ability to derive mechanistic insight from electron density is also important with methods where orbitals are not available, such as orbital-free density functional theory (OF-DFT). While density topology-based analyses such as QTAIM (quantum theory of atoms-in-molecules) have been widely used, novel, vector-based techniques recently emerged such as next-generation (NG) QTAIM. Density-dependent quantities are also actively used in machine learning (ML)-based methods, in particular, for ML DFT functional development, including machine-learnt kinetic energy functionals. We review QTAIM and its recent extensions such as NG-QTAIM and localization-delocalization matrices (LDM) and their uses in the analysis of bonding, conformations, mechanisms of redox reactions excitations, as well as ultrafast phenomena. We review recent research showing that direct density analysis can circumvent certain pitfalls of the FOS formalism, in particular in the description of anionic redox, and of the widely used (spherically) projected density of states analysis. We discuss uses of densitybased quantities for the construction of DFT functionals and prospects of applications of analyses of density topology to get mechanistic insight with OF-DFT and recently developed time-dependent OF-DFT.

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Effect of nanoshell geometries, sizes, and quantum emitter parameters on the sensitivity of plasmon-exciton hybrid nanoshells for sensing application

Firoozi

Amphawan

Khordad

et al. 2023

Sci Rep

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A proposed nanosensor based on hybrid nanoshells consisting of a core of metal nanoparticles and a coating of molecules is simulated by plasmon-exciton coupling in semi classical approach. We study the interaction of electromagnetic radiation with multilevel atoms in a way that takes into account both the spatial and the temporal dependence of the local fields. Our approach has a wide range of applications, from the description of pulse propagation in two-level media to the elaborate simulation of optoelectronic devices, including sensors. We have numerically solved the corresponding system of coupled Maxwell-Liouville equations using finite difference time domain (FDTD) method for different geometries. Plasmon-exciton hybrid nanoshells with different geometries are designed and simulated, which shows more sensitive to environment refractive index (RI) than nanosensor based on localized surface plasmon. The effects of nanoshell geometries, sizes, and quantum emitter parameters on the sensitivity of nanosensors to changes in the RI of the environment were investigated. It was found that the cone-like nanoshell with a silver core and quantum emitter shell had the highest sensitivity. The tapered shape of the cone like nanoshell leads to a higher density of plasmonic excitations at the tapered end of the nanoshell. Under specific conditions, two sharp, deep LSPR peaks were evident in the scattering data. These distinguishing features are valuable as signatures in nanosensors requiring fast, noninvasive response.

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Advances in modeling plasmonic systems

Cited by 7 publications

References 125 publications

A review on hybridization of plasmonic and photonic crystal biosensors for effective cancer cell diagnosis

A review on hybridization of plasmonic and photonic crystal biosensors for effective cancer cell diagnosis

The Analysis of Electron Densities: From Basics to Emergent Applications

Effect of nanoshell geometries, sizes, and quantum emitter parameters on the sensitivity of plasmon-exciton hybrid nanoshells for sensing application

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