First Principles Calculations Toward Understanding SERS of 2,2′‐Bipyridyl Adsorbed on Au, Ag, and Au–Ag Nanoalloy

Takenaka, Masato; Hashimoto, Yoshikazu; Iwasa, Takeshi; Taketsugu, Tetsuya; Seniutinas, Gediminas; Balčytis, Armandas; Juodkazis, Saulius; Nishijima, Yoshiaki

doi:10.1002/jcc.25603

Cited by 25 publications

(18 citation statements)

References 50 publications

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“…This model was named Ag 20 -B. The Au 10 Ag 10 nanoalloy geometry was based on the lowest energy isomer presented in ref . Finally, the M 58 clusters were obtained by adapting the Au 58 equilibrium structure presented in ref .…”

Section: Methodsmentioning

confidence: 99%

Lanthanide Ions Sensitization by Small Noble Metal Nanoclusters

Vanzan

Cesca²,

Kalinic³

et al. 2021

ACS Photonics

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Rare-earth ions sensitization is, nowadays, a relevant topic in modern technologies. Noble metal nanoclusters can effectively sensitize lanthanide photoluminecence (PL) via excitation energy transfer (EET). Recent experimental works reported how this process strongly depends on the nanoclusters size and composition, however, a comprehensive understanding of this phenomenon is still lacking. Inspired by the current paradigm on the lanthanide–antenna complexes, where light is absorbed by the organic ligand, which then converts to a triplet and transfers the excitation to the lanthanide, we propose it also applies to sensitization by metal clusters. To prove this, we studied the optoelectronic features of several M N nanoclusters (M = Au, Ag, Au/Ag mix; N = 12, 20, and 58) at the Time Dependent Density Functional Theory (TDDFT) level, including, via simplified models, the silica matrix and its possible defects, and make considerations on the role these features can have on the EET toward Er3+ ions. Our analysis suggests that PL enhancement is generally more effective when N = 12 and M = Ag or Au/Ag mix, while the worst cases are obtained when M = Au and N = 58. These findings are coherent with prior experimental data and with novel measures that are here presented for the first time. Notably, we recover that the matrix defects can actively take part in the EET and, in some cases, could be (counterintuitively) beneficial for the process efficiency. Globally, this theoretical framework gives a comprensive rationale that can guide the design of new effective rare-earth ion sensitizers based on metal clusters.

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Section: Methodsmentioning

confidence: 99%

Lanthanide Ions Sensitization by Small Noble Metal Nanoclusters

Vanzan

Cesca²,

Kalinic³

et al. 2021

ACS Photonics

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“…For example, in a similar way nanosponges can be produced from co-sputtered noble-metal films forming nano-alloys with engineered permittivity as demonstrated for Au-Cu-Ag [56]. Along with plasmonic hot spot engineering, local potential defined by the nearest atomic composition was shown to modify physical and chemical adsorption of the analyte molecules affecting their characteristic SERS and SEIRA signals and sensor performance [57]. Insights into formation of metallic glasses and high entropy alloys with even large number of constituent materials [58] will benefit from a nanoscale control of re-melting and phase-explosions demonstrated in this work.…”

Section: Discussionmentioning

confidence: 98%

Laser Printing of Plasmonic Nanosponges

et al. 2020

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Three-dimensional porous nanostructures made of noble metals represent novel class of nanomaterials promising for nonlinear nanooptics and sensors. Such nanostructures are typically fabricated using either reproducible yet time-consuming and costly multi-step lithography protocols or less reproducible chemical synthesis that involve liquid processing with toxic compounds. Here, we combined scalable nanosecond-laser ablation with advanced engineering of the chemical composition of thin substrate-supported Au films to produce nanobumps containing multiple nanopores inside. Most of the nanopores hidden beneath the nanobump surface can be further uncapped using gentle etching of the nanobumps by an Ar-ion beam to form functional 3D plasmonic nanosponges. The nanopores 10–150 nm in diameter were found to appear via laser-induced explosive evaporation/boiling and coalescence of the randomly arranged nucleation sites formed by nitrogen-rich areas of the Au films. Density of the nanopores can be controlled by the amount of the nitrogen in the Au films regulated in the process of their magnetron sputtering assisted with nitrogen-containing discharge gas.

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“…More specifically, non-uniform deposition of the Au material above the surface textures provided decoration of Ag nanospikes with Au nanoclusters (see Figure 2e), further boosting plasmonic response of the spallative textures [37]. Additionally, density functional theory calculations recently showed that nanoscale alloying of SERS active metals can support SERS enhancement [41]. Finally, the Au coating rendered the central site hydrophilic.…”

Section: Properties Of Sers-active Site and Analyte-enrichment Systemmentioning

confidence: 98%

Ultrasensitive SERS-Based Plasmonic Sensor with Analyte Enrichment System Produced by Direct Laser Writing

et al. 2019

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We report an easy-to-implement device for surface-enhanced Raman scattering (SERS)-based detection of various analytes dissolved in water droplets at trace concentrations. The device combines an analyte-enrichment system and SERS-active sensor site, both produced via inexpensive and high-performance direct femtosecond (fs)-laser printing. Fabricated on a surface of water-repellent polytetrafluoroethylene substrate as an arrangement of micropillars, the analyte-enrichment system supports evaporating water droplet in the Cassie–Baxter superhydrophobic state, thus ensuring delivery of the dissolved analyte molecules towards the hydrophilic SERS-active site. The efficient pre-concentration of the analyte onto the sensor site based on densely arranged spiky plasmonic nanotextures results in its subsequent label-free identification by means of SERS spectroscopy. Using the proposed device, we demonstrate reliable SERS-based fingerprinting of various analytes, including common organic dyes and medical drugs at ppb concentrations. The proposed device is believed to find applications in various areas, including label-free environmental monitoring, medical diagnostics, and forensics.

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First Principles Calculations Toward Understanding SERS of 2,2′‐Bipyridyl Adsorbed on Au, Ag, and Au–Ag Nanoalloy

Cited by 25 publications

References 50 publications

Lanthanide Ions Sensitization by Small Noble Metal Nanoclusters

Lanthanide Ions Sensitization by Small Noble Metal Nanoclusters

Laser Printing of Plasmonic Nanosponges

Ultrasensitive SERS-Based Plasmonic Sensor with Analyte Enrichment System Produced by Direct Laser Writing

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