We theoretically investigate the interaction between a single molecule and a metallic nanoparticle. We develop a general quantum mechanical description for the calculation of the enhancement of radiative and non-radiative decay channels for a molecule situated in the nearfield regime of the metallic nanoparticle. Using a boundary element method approach, we compute the scattering rates for several nanoparticle shapes. We also introduce an eigenmode expansion and quantization scheme for the surface plasmons, which allows us to analyze the scattering processes in simple physical terms. An intuitive explanation is given for the large quantum yield of quasi one- and two-dimensional nanostructures. Finally, we briefly discuss resonant Foerster energy transfer in presence of metallic nanoparticles.
We theoretically investigate strong coupling between a single molecule and a single metallic nanoparticle. A theory suited for the quantum-mechanical description of surface plasmon polaritons (SPPs) is developed. The coupling between these SPPs and a single molecule, and the modified molecular dynamics in presence of the nanoparticle are described within a combined Drude and boundary-element-method approach. Our results show that strong coupling is possible for single molecules and metallic nanoparticles, and can be observed in fluorescence spectroscopy through the splitting of emission peaks.
It was recently suggested that molecular junctions would be excellent elements for efficient and high-power thermoelectric energy conversion devices. However, experimental measurements of thermoelectric conversion in molecular junctions have indicated rather poor efficiency, raising the question of whether it is indeed possible to design a setup for molecular junctions that will exhibit enhanced thermoelectric performance. Here we suggest that hybrid single-molecule nanoparticle junctions can serve as efficient thermoelectric converters. The introduction of a semiconducting nanoparticle introd…
We have investigated the conduction over a wide range of temperature of $λ$ DNA molecules deposited across slits etched through a few nanometers thick platinum film. The slits are insulating before DNA deposition but contain metallic Ga nanoparticles, a result of focused ion beam etching. When these nanoparticles are superconducting we find that they can induce superconductivity through the DNA molecules, even though the main electrodes are non superconducting. These results indicate that minute metallic particles can easily transfer charge carriers to attached DNA molecules and provide a poss…
A method is proposed for determining the temperature of hot electrons in a metallic nanoparticle embedded in a dielectric matrix under ultrashort laser pulses irradiation. The amplitude and power of the longitudinal spherical acoustic oscillations as functions of density and elastic properties of the medium, the laser pulse duration, the electron temperature, radii of particles, and the electron-phonon coupling constant are obtained. The efficiency of the electron energy transfer from heated noble nanoparticles to a surrounding environment is estimated for different electron temperatures.
Applying ac voltages, we trapped gold nanoparticles between microfabricated electrodes under well-defined conditions. We demonstrate that the nanoparticles can be controllably fused together to form homogeneous gold nanowires with pre-defined diameters and conductance values. Whereas electromigration is known to form a gap when a dc voltage is applied, this ac technique achieves the opposite, thereby completing the toolkit for the fabrication of nanoscale junctions.
Systems of quantum dots (QD) connected to leads exhibit periodic conductance peaks as a function of gate voltage arising from the Coulomb blockade effect \cite{review1,review2,review3}. Much effort goes into minimizing the size of QDs and reaching the scale of single molecules \cite{molecular1,molecular2,molecular3} which could serve as nanoelectronic circuit components such as transistors. Connecting molecules or nanoparticles to external leads cannot be achieved by the traditional methods used in semiconductor based QDs, hence, controlling the coupling to nanoparticle QDs is a major technica…
For the metallic nanoparticles, smaller than the free electron path, an impact of the particle's surface on the nonlocal effects emerging is shown. Light-induced current inside the particle begins to depend on the spatial derivatives of the field that leads to modification of Maxwell's equations. Consequently, the results of Mie theory as well as definitions of the dielectric function and optical conductivity should be revisited. For the sphere-shaped nanoparticle, the explicit expression for the high-frequency current with account of nonlocality is obtained. The dependence of the nonlocal con…
We study sequential tunneling through a metallic nanoparticle close to the Stoner instability coupled to parallely magnetized electrodes. Increasing the bias voltage successively opens transport channels associated with excitations of the nanoparticle's total spin. For the current this leads just to a steplike increase. The Fano factor, in contrast, shows oscillations between large super-Poissonian and sub-Poissonian values as a function of bias voltage. We explain the enhanced Fano factor in terms of generalized random-telegraph noise and propose the shot noise as a convenient tool to probe t…
A numerical method for calculation electronic structure of a nanosystem composed of a pseudoisocyanine (PIC) molecule assembled on a silver nanoparticle is developed. The electronic structure of the silver nanoparticle containing 125 atoms is calculated within the local density version of the density functional method. A model of an Ag atom embedded in the center of a spherical jellium cluster is used. The host electron Green function is calculated by means of the spherically symmetric expansion. The principal theoretical tool is the scattering theory using the Green function method. The molec…
We develop a general quantum theory of the coupled plasmonic modes resulting from the near-field interaction between localized surface plasmons in a heterogeneous metallic nanoparticle dimer. In particular, we provide analytical expressions for the frequencies and decay rates of the bright and dark plasmonic modes. We show that, for sufficiently small nanoparticles, the main decay channel for the dark plasmonic mode, which is weakly coupled to light and, hence, immune to radiation damping, is of nonradiative origin and corresponds to Landau damping, i.e., decay into electron-hole pairs.
We introduce a highly sensitive and relatively simple technique to observe magnetization motion in single Ni nanoparticles, based on charge sensing by electron tunneling at millikelvin temperature. Sequential electron tunneling via the nanoparticle drives nonequilibrium magnetization dynamics, which induces an effective charge noise that we measure in real time. In the free spin diffusion regime, where the electrons and magnetization are in detailed balance, we observe that magnetic damping time exhibits a peak with the magnetic field, with a record long damping time of $\simeq 10$~ms.
We study the current and shot noise in a linear array of metallic nanoparticles taking explicitly into consideration their discrete electronic spectra. Phonon assisted tunneling and dissipative effects on single nanoparticles are incorporated as well. The capacitance matrix which determines the classical Coulomb interaction within the capacitance model is calculated numerically from a realistic geometry. A Monte Carlo algorithm which self-adapts to the size of the system allows us to simulate the single-electron transport properties within a semiclassical framework. We present several effects …
We study the linewidth of the surface plasmon resonance in the optical absorption spectrum of metallic nanoparticles, when the decay into electron-hole pairs is the dominant channel. Within a semiclassical approach, we find that the electron-hole density-density correlation oscillates as a function of the size of the particles, leading to oscillations of the linewidth. This result is confirmed numerically for alkali and noble metal particles. While the linewidth can increase strongly, the oscillations persist when the particles are embedded in a matrix.
The dynamics of the surface plasmon in laser-driven metallic nanoparticles is described by means of a master-equation formalism. Within the Markov approximation, the dynamics is studied for different regimes ranging from weak excitation in photoabsorption experiments to strong excitation in pump-probe spectroscopy. It is shown that two collective levels are sufficient to describe the dynamics of the surface plasmon. On this basis, we predict the appearance of sidebands in the absorption spectrum of the probe laser field in pump-probe experiments.
Recent years have seen great progress in our understanding of the electronic properties of nanomaterials in which at least one dimension measures less than 100 nm. However, contacting true nanometer scale materials such as individual molecules or nanoparticles remains a challenge as even state-of-the-art nanofabrication techniques such as electron-beam lithography have a resolution of a few nm at best. Here we present a fabrication and measurement technique that allows high sensitivity and high bandwidth readout of discrete quantum states of metallic nanoparticles which does not require nm res…
Hot carriers produced from the decay of localized surface plasmons in metallic nanoparticles are intensely studied because of their optoelectronic, photovoltaic and photocatalytic applications. From a classical perspective, plasmons are coherent oscillations of the electrons in the nanoparticle, but their quantized nature comes to the fore in the novel field of quantum plasmonics. In this work, we introduce a quantum-mechanical material-specific approach for describing the decay of single quantized plasmons into hot electrons and holes. We find that hot carrier generation rates differ signific…
We simulate the localized surface plasmon resonances of an Au nanoparticle within tunneling proximity of a Au substrate and demonstrate that the modes may be identified with those responsible for light emission from a scanning tunneling microscope. Relative to the modes of an isolated nanoparticle these modes show significant red-shifting, extending further into the infrared with increasing radius, primarily due to a proximity-induced lowering of the effective bulk plasmon frequency. Spatial mapping of the field enhancement factor shows an oscillatory variation of the field, absent in the case…
In the present work, the formation of silver and copper nanostructures on highly oriented pyrolytic graphite (HOPG) modified with self-assembled gold nanoparticles (Au NPs) is demonstrated. Surface patterning with nanometer resolution was achieved. Different methods such as field emission scanning electron microscopy (FEGSEM), energy dispersive spectrometry (EDS) and X-ray photoelectron spectroscopy (XPS) were used to illustrate a selective deposition of silver and copper on Au NPs. The mechanism of silver and copper ions reduction on Au NP with $n$-dodecanethiol coating is discussed.
Hotspots with strong near fields due to localized surface plasmons (LSPs) in metallic nanostructures have various applications, such as surface enhanced Raman scattering (SERS). The long range Coulomb coupling between LSPs in periodic metallic nanostructures may lead to interesting collective effects. In this paper, we investigate the combination effects of the local field enhancement and collective plasmon resonances in one dimensional metallic nanoparticle dimer chains. It is found that the strong near field in the gap and the far field interactions among the metallic nanoparticles lead to a…
Strong light-matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of materials properties. In particular the latter possibility has spurred the development of advanced theoretical techniques that can accurately capture both quantum optical and quantum chemical degrees of freedom. These methods are, however, computationally very demanding, which limits their application range. Here, we demonstrate that the optical spectra of nanoparticle-molecule assemblies, including strong coupling effects, can be predicted with good accuracy us…
The electronic environment causes decoherence and dissipation of the collective surface plasmon excitation in metallic nanoparticles. We show that the coupling to the electronic environment influences the width and the position of the surface plasmon resonance. A redshift with respect to the classical Mie frequency appears in addition to the one caused by the spill-out of the electronic density outside the nanoparticle. We characterize the spill-out effect by means of a semiclassical expansion and obtain its dependence on temperature and the size of the nanoparticle. We demonstrate that both, …
Plasmonic nanocrystals with hot spots are able to localize optical energy in small spaces. In such physical systems, near-field interactions between molecules and plasmons can become especially strong. This paper considers the case of a nanoparticle dimer and a chiral biomolecule. In our model, a chiral molecule is placed in the gap between two plasmonic nanoparticles, where the electromagnetic hot spot occurs. Since many important biomolecules have optical transitions in the UV, we consider the case of Aluminum nanoparticles, as they offer strong electromagnetic enhancements in the blue and U…
We develop a microscopic model for fluorescence of a molecule (or semiconductor quantum dot) near a small metal nanoparticle. When a molecule is situated close to metal surface, its fluorescence is quenched due to energy transfer to the metal. We perform quantum-mechanical calculations of energy transfer rates for nanometer-sized Au nanoparticles and find that non-local and quantum-size effects significantly enhance dissipation in metal as compared to those predicted by semiclassical electromagnetic models. However, the dependence of transfer rates on molecule's distance to metal nanoparticle …
In metallic nanoparticles, the different electronic environment seen by each magnetic nucleus produces a distribution of Knight shifts of the NMR frequencies which is observed as an inhomogeneously broadened lineshape. We study the fluctuations in the local density of states for s electrons at the Fermi energy in a simple LCAO model. We resort to a Matrix Continued Fractions calculation of the Green's functions. Results show that line broadens asymmetrically and its shift decreases as the particle size or the temperature diminish satisfying a universal scaling function. However, for very small…
Two possible mechanisms of surface plasmon (SP) oscillations damping in metallic nanoparticles (MNPs), not connected with electron-phonon interaction are investigated theoretically: a) the radiation damping of SP, b) resonant coupling of SP oscillations with electronic transitions in matrix. It is shown that the radiation damping rate is proportional to the number of electrons in MNP and therefore this channel of energy outflow from MNP becomes essential for relatively large particles. The investigation of second mechanism shows that the rate of SP oscillations energy leakage from MNP dos not …
Characterizing the melting behaviour of monometallic nanoparticles is a great challenge from both the experimental and the theoretical point of view. To this end, we disclose a universal signature based on the cluster's pair distribution function, a measurable quantity from X-ray experimental analysis tools. From a systematic investigation of metallic nanoparticles of different chemical species (Ni, Cu, Pd, Ag, Au and Pt), in a wide size range (146 to 976 atoms), and using both crystalline and five-fold twinned shapes as initial configurations, it emerges that the melting transition is signall…
The local field approach and kinetic equation method is applied to calculate the surface plasmon radiative damping in a spheroidal metal nanoparticle embedded in any dielectric media. The radiative damping of the surface plasmon resonance as a function of the particle radius, shape, dielectric constant of the surrounding medium and the light frequency is studied in detail. It is found that the radiative damping grows quadratically with the particle radius and oscillates with altering both the particle size and the dielectric constant of a surrounding medium. Much attention is paid to the elect…
We study the influence of an external magnetic field on the collective electronic excitations in metallic nanoparticles. While the usual surface plasmon corresponding to the collective oscillation of the electrons with respect to the ionic background persists in the direction parallel to the magnetic field, the components in the perpendicular plane are affected by the field and give rise to two collective modes with field-dependent frequencies, the surface magnetoplasmons. We analyze the decay of these collective excitations by their coupling to particle-hole excitations and determine how thei…
We report a numerical investigation on the heat transfer through one dimensional arrays of metallic nanoparticles closely spaced in a host material. Our simulations show that the multipolar interactions play a crucial role in the heat transport via collective plasmons. Calculations of the plasmonic thermal conductance and of the thermal conductivity in ballistic and diffusive regime, respectively have been carried out. (a) Using the Landauer-Buttiker formalism we have found that, when the host material dielectric constant takes positive values, the multipolar interactions drastically enhance b…
We have investigated the unique effects of metallic nanoparticle on the ring resonator, especially multiple Au nanoparticles on the micro ring resonator with the 4-port configuration on chip. For the Au nanoparticle, because it has smaller real refractive index than air and large absorption refractive index, we found that there is a blue shift for the ring resonance wavelength, instead of red shift normally observed for dielectric nanoparticles. The drop port intensity is strongly dependent on both number and size of nanoparticles, while relatively independent on position of nanoparticles. The…
The observation of intense visible fluorescence from silver and iron nanoparticles in different solution phases and surface capping is reported here. Metallic silver and iron nanoparticles were obtained by exploding pure silver and iron wires in pure water. Bovine serum albumin protein adsorption on the silver nanoparticles showed an enhanced fluorescence. The presence of poly-vinyl pyrrolidone polymer in the exploding medium resulted in a stabilized growth of iron nanoparticles with enhanced fluorescence intensity. The fluorescence was found to be surface /interface dependant. The fluorescenc…
We present a microscopic study of single-electron tunneling in nanomechanical double-barrier tunneling junctions formed using a vibrating scanning nanoprobe and a metallic nanoparticle connected to a metallic substrate through a molecular bridge. We analyze the motion of single electrons on and off the nanoparticle through the tunneling current, the displacement current and the charging-induced electrostatic force on the vibrating nanoprobe. We demonstrate the mechanical single-electron turnstile effect by applying the theory to a gold nanoparticle connected to the gold substrate through alkan…
We determine the lifetime of the surface plasmon in metallic nanoparticles under various conditions, concentrating on the Landau damping, which is the dominant mechanism for intermediate-size particles. Besides the main contribution to the lifetime, which smoothly increases with the size of the particle, our semiclassical evaluation yields an additional oscillating component. For the case of noble metal particles embedded in a dielectric medium, it is crucial to consider the details of the electronic confinement; we show that in this case the lifetime is determined by the shape of the self-con…
The pulsed photothermal phenomenon due to optically absorbed energy, result from non-radiative decay mechanisms, which in nature, these imply the temporal change in the local free energy and thus a temporary change in the local temperature. At the nanoscale, this is a prediction broadly described in terms of macroscopic variables. Here we introduce a formalism based on the Jarzynski's physical statistics description, for interpreting the equilibrium free energy difference between two configurations of a metallic nanoparticle. In this way, within a finite-time span, we describe the temporal inc…
The kinetic approach is applied to calculate oscillations of a surface plasmon linewidth in a spheroidal metal nanoparticle embedded in any dielectric media. The principal attention is focused on the case, when the free electron path is much greater than the particle size. The linewidth of the plasmon resonance as a function of the particle radius, shape, dielectric constant of the surrounding medium, and the light frequency is studied in detail. It is found that the resonance plasmon linewidth oscillates with increasing both the particle size and the dielectric constant of surrounding medium.…
We consider the effect of electromagnetic coupling between localized surface plasmons in a metallic nanoparticle (NP) and excitons or weakly interacting electron-hole pairs in a semiconductor matrix where the NP is embedded. An expression is derived for the NP polarizability renormalized by this coupling and two possible situations are analyzed, both compatable with the conditions for Fano-type resonances: (i) a narrow bound exciton transition overlapping with the NP surface plasmon resonance (SPR), and (ii) SPR overlapping with a parabolic absorption band due to electron-hole transitions in t…
We showed in past work that nanopatterned monolayer graphene (NPG) enables spectrally selective thermal emission in the mid-infrared (mid-IR) from 3 to 12 $μ$m. In that case the spectral selection is realized by means of the localized surface plasmon (LSP) resonances inside graphene. Here we show that graphene decorated with metallic nanoparticles, such as Ag nanocubes or nanospheres, also realize spectrally selective thermal emission, but in this case by means of acoustic graphene plasmons (AGPs) localized between graphene and the Ag nanoparticle inside a dielectric material. Our finite-diffe…
Bimetallic nanoparticles (often known as nanoalloys) with core-shell arrangement are of special interest in several applications, such as in optics, catalysis, magnetism and biomedicine. Despite wide interest in applications, the physical factors stabilizing the structures of these nanoparticles are still unclear to a great extent, especially for what concerns the relationship between geometric structure and chemical ordering pattern. Here global-optimization searches are performed in order to single out the most stable chemical ordering patterns corresponding to the most important geometric s…
Based on the coupled-dipole analysis and finite-difference time-domain simulation, we have investigated the surface plasmon propagation in one-dimensional metallic nanoparticle (NP) chains. Our systematic studies reveal that the interplay between the localized plasmon excitation and the lattice collective behavior leads to two phases (I and II) of different electromagnetic (EM) field transport properties. In phase I, the EM field decays follow the power-law. In phase II, the EM field shows the exponential decay in the short distance regime and the power-law decay in the long distance regime. M…
We present a microscopic theory of single-electron tunneling through metallic nanoparticles connected to the electrodes through molecular bridges. It combines the theory of electron transport through molecular junctions with the description of the charging dynamics on the nanoparticles. We apply the theory to study single-electron tunneling through a gold nanoparticle connected to the gold electrodes through two representative benzene-based molecules. We calculate the background charge on the nanoparticle induced by the charge transfer between the nanoparticle and linker molecules, the capacit…
I present a direct and intuitive eigenmode method that evaluates the near-field enhancement around the surface of metallic nanoparticles of arbitrary shape. The method is based on the boundary integral equation in the electrostatic limit. Besides the nanoparticle polarizability and the far-field response, the near-field enhancement around nanoparticles can be also conveniently expressed as an eigenmode sum of resonant terms. Moreover, the spatial configuration of the near-field enhancement depends explicitly on the eigenfunctions of both the BIE integral operator and of its adjoint. It is also…
We consider a simple cubic array of metallic nanoparticles supporting extended collective plasmons that arise from the near-field dipolar interaction between localized surface plasmons in each nanoparticle. We develop a fully analytical quantum theory of the strong-coupling regime between these collective plasmons and photons resulting in plasmon polaritons in the nanoparticle array. Remarkably, we show that the polaritonic band gap and the dielectric function of the metamaterial can be significantly modulated by the polarization of light. We unveil how such an anisotropic behavior in the plas…
The effect of smooth shape changes of metallic nanoparticles on localized surface plasmon resonances is assessed with a boundary integral equation method. The boundary integral equation method allows compact expressions of nanoparticle polarizability which is expressed as an eigenmode sum of terms that depends on the eigenvalues and eigenfunctions of the integral operator associated to the boundary integral equation method. Shape variations change not only the eigenvalues but also their coupling weights to the electromagnetic field. Thus, rather small changes in the shape may induce large vari…
We investigate the possibility of electron pairing in small metallic nanoparticles at zero temperature. In these particles both electrons and phonons are mesoscopic, i.e. modified by the nanoparticle's finite size. The electrons, the phonons, and their interaction are described within the framework of a simplified model. The effective electron-electron interaction is derived from the underlying electron-phonon interaction. The effect of both effective interaction and Coulomb interaction on the electronic spectrum is evaluated. Results are presented for aluminum, zinc and potassium nanoparticle…
The optical properties of metallic tin nanoparticles embedded in silicon-based host materials were studied. Thin films containing the nanoparticles were produced using RF magnetron sputtering followed by ex situ heat treatment. Transmission electron microscopy was used to determine the nanoparticle shape and size distribution; spherical, metallic tin nanoparticles were always found. The presence of a localized surface plasmon resonance in the nanoparticles was observed when SiO2 and amorphous silicon were the host materials. Optical spectroscopy revealed that the localized surface plasmon reso…
We show that the radiative heat flux between two nanoparticles can be significantly amplified when they are placed in proximity of a planar substrate supporting a surface resonance. The amplification factor goes beyond two orders of magnitude in the case of dielectric nanoparticles, whereas it is lower in the case of metallic nanoparticles. We analyze how this effect depends on the frequency and on the particles-surface distance, by clearly identifying the signature of the surface mode producing the amplification. Finally, we show how the presence of a graphene sheet on top of the substrate ca…
While the large paramagnetic response measured in certain ensembles of metallic nanoparticles has been assigned to orbital effects of conduction electrons, the spin-orbit coupling has been pointed out as a possible origin of the anomalously large diamagnetic response observed in other cases. Such a relativistic effect, arising from the inhomogeneous electrostatic potential seen by the conduction electrons, might originate from the host ionic lattice, impurities, or the self-consistent confining potential. Here we theoretically investigate the effect of the spin-orbit coupling arising from the …
We present an approach to master the well-known challenge of calculating the contribution of d-bands to plasmon-induced hot carrier rates in metallic nanoparticles. We generalise the widely used spherical well model for the nanoparticle wavefunctions to flat d-bands using the envelope function technique. Using Fermi's golden rule, we calculate the generation rates of hot carriers after the decay of the plasmon due to transitions from either a d-band state to an sp-band state or from an sp-band state to another sp-band state. We apply this formalism to spherical silver nanoparticles with radii …
Electrostatically charged aerosol nanoparticles strongly attract surrounding polar gas molecules due to a charge-dipole interaction. In humid air, the substantial electrostatic attraction and acceleration of surrounding water vapour molecules towards charged combustible nanoparticles cause intense electrostatic hydration and preferential oxidation of these nanoparticles by accelerated water vapor molecules rather than non-polar oxygen molecules. In particular, electrostatic acceleration, acquired by surrounding water vapour molecules at a distance of their mean free path from the minimally cha…
We report in detail our experiments on the conduction of $λ$ DNA molecules over a wide range of temperature deposited across slits in a few nanometers thick platinum film. These insulating slits were fabricated using focused ion beam etching and characterized extensively using near field and electron microscopy. This characterization revealed the presence of metallic Ga nanoparticles inside the slits, as a result of the ion etching. After deposition of $λ$ DNA molecules, using a protocol that we describe in detail, some of the slits became conducting and exhibited superconducting fluctuations …
Machine learning algorithms have recently emerged as a tool to generate force fields which display accuracies approaching the ones of the ab-initio calculations they are trained on, but are much faster to compute. The enhanced computational speed of machine learning force fields results key for modelling metallic nanoparticles, as their fluxionality and multi-funneled energy landscape needs to be sampled over long time scales. In this review, we first formally introduce the most commonly used machine learning algorithms for force field generation, briefly outlining their structure and properti…
The magnetic susceptibility of an ensemble of clean metallic nanoparticles is shown to change from paramagnetic to diamagnetic one with the onset of spin-orbit interaction. The effect is quantified on the basis of symmetry analysis with the help of the random matrix theory. In particular, the magnetic susceptibility is investigated as the function of symmetry breaking parameter representing magnetic flux in the crossover from symplectic to unitary and from orthogonal to unitary ensembles. Corresponding analytical and numerical results provide a qualitative explanation to the experimental data …
Excitation of confined bulk plasmons in metallic nanoparticles by penetrating electron beams within a nonlocal analytical approach
University of the Basque Country UPV/EHU（巴斯克国立大学）；Donostia International Physics Center (DIPC)（多诺西亚国际物理中心）；IKERBASQUE, Basque Foundation for Science（伊克尔巴斯基奎，巴斯克科学基金会）；Materials Physics Center, CSIC-UPV/EHU（材料物理中心，西班牙国家研究委员会-巴斯克国立大学）
Structural and energy stability results for a new class of decahedral structural motif termed decmon (Montejano's decahedra) are presented. After making proper truncations to the regular icosahedron, this structural motif presents exposed <100> and <111> facets, whose energetic competition make the structures very stable. It is also identified structural transitions as a function of the cluster size, the appearing and competition of surface reconstruction, and an outline for a path transformation from the Mackay icosahedra (I_h) to the regular decahedra (D_h) symmetry structures, as well as ex…
Surface enhanced Raman scattering (SERS) is optically sensitive and chemically specific to detect single molecule spectroscopic signatures. Facilitating this capability in optically-trapped nanoparticles at low laser power remains a significant challenge. In this letter, we show single molecule SERS signatures in reversible assemblies of trapped plasmonic nanoparticles using a single laser excitation (633 nm). Importantly, this trap is facilitated by the thermoplasmonic field of a single gold nanoparticle dropcasted on a glass surface. We employ bi-analyte SERS technique to ascertain the singl…
Motivated by the recent development of quantitative structure-activity relationship (QSAR) methods in the area of nanotoxicology, we proposed an approach to develop additional descriptors based on results of first principles calculations. For evaluation of the biochemical activity of metallic nanoparticles, we consider two processes: ion extraction from the surface of a specimen to aqueous media and water dissociation on the surface. We performed calculations for a set of metals (Al, Fe, Cu, Ag, Au, Pt). Taking into account the diversity of atomic structures of real metallic nanoparticles, we …
The theory of the ultrashort laser pulse scattered by metallic nanoparticles in the region of surface plasmon resonances is developed in the framework of kinetic approach. For the spheroidal particles, the dependence of the light scattering cross-section on the shape of the particles, the carrier wave frequency, a pulse duration, and other factors is studied. Additionally, an interaction of small metallic particles with double ultrashort pulse is considered. In this case, the energy scattered by the particles demonstrates oscillating behavior when the time delay between pulses changes. Special…
