Influence of size, shape and core–shell interface on surface plasmon resonance in Ag and Ag@MgO nanoparticle films deposited on Si/SiO_x

• Sergio D’Addato,
• Daniele Pinotti,
• Maria Chiara Spadaro,
• Guido Paolicelli,
• Vincenzo Grillo,
• Sergio Valeri,
• Luca Pasquali,
• Luca Bergamini and
• Stefano Corni

Beilstein J. Nanotechnol. 2015, 6, 404–413, doi:10.3762/bjnano.6.40

• of the experimental data [16][17][18], also requires this detailed characterization information as input. In fact, electromagnetic modelling requires knowledge of the NP shape, size and arrangement of the NPs to provide results comparable with experiments. In this work, the results of joint

Kelvin probe force microscopy in liquid using electrochemical force microscopy

• Liam Collins,
• Stephen Jesse,
• Jason I. Kilpatrick,
• Alexander Tselev,
• M. Baris Okatan,
• Sergei V. Kalinin and
• Brian J. Rodriguez

Beilstein J. Nanotechnol. 2015, 6, 201–214, doi:10.3762/bjnano.6.19

• analytical modelling [61]. Conclusion The feasibility of force-based electrostatic and electrochemical measurements was investigated in liquid by probing the bias- and time-dependent response to a biased probe. The implementation of conventional closed loop-KPFM has been determined to be possible only when

Tunable light filtering by a Bragg mirror/heavily doped semiconducting nanocrystal composite

• Ilka Kriegel and
• Francesco Scotognella

Beilstein J. Nanotechnol. 2015, 6, 193–200, doi:10.3762/bjnano.6.18

• modulation of the transmittance of solar energy [34][35][36][37]. In this study, we propose a tunable filter based on photonic crystals (Bragg mirrors) coupled to heavily doped semiconductor NCs with plasmonic absorption properties. We report the modelling of a Bragg mirror coupled to a dispersion of

• −xSe NCs or an ITO NC film, sketched in dark red. In the following, we demonstrate the modelling of the transmission properties of the proposed device. We first consider the plasmonic absorption properties of the heavily doped NC component and demonstrate its modulated absorption properties through an

Localized surface plasmon resonances in nanostructures to enhance nonlinear vibrational spectroscopies: towards an astonishing molecular sensitivity

• Dan Lis and
• Francesca Cecchet

Beilstein J. Nanotechnol. 2014, 5, 2275–2292, doi:10.3762/bjnano.5.237

• -resonant SFG signal of both the silver film and the LB monolayer. In particular, they highlighted that the SFG signal from the LB film was increased by about 25% and was angularly shifted by comparison with the pure silver film. Combining their experimental results with theoretical calculations modelling

Hybrid spin-crossover nanostructures

• Carlos M. Quintero,
• Gautier Félix,
• Iurii Suleimanov,
• José Sánchez Costa,
• Gábor Molnár,
• Lionel Salmon,
• William Nicolazzi and
• Azzedine Bousseksou

Beilstein J. Nanotechnol. 2014, 5, 2230–2239, doi:10.3762/bjnano.5.232

• Narbonne, 31077 Toulouse, France Department of Chemistry, National Taras Shevchenko University of Kiev, 62 Volodymyrska St. 01601, Ukraine 10.3762/bjnano.5.232 Abstract This review reports on the recent progress in the synthesis, modelling and application of hybrid spin-crossover materials, including core

• the SCO properties and the physical properties (magnetic, photonic, charge transport, etc.) of the surrounding matter. The present review constitutes an overview of these systems including their synthesis, theoretical modelling and future possible technological applications. Indeed, a recent strategy

• nano-objects: towards modelling hybrid systems A reduction in dimensions leads to an inevitable change in the bistability phenomenon for SCO nano-objects [36]. This idea has been experimentally confirmed with the study of spin-crossover nanoparticles [2][3][4][5]. The main observations include the

Optical properties and electrical transport of thin films of terbium(III) bis(phthalocyanine) on cobalt

• Peter Robaschik,
• Pablo F. Siles,
• Daniel Bülz,
• Peter Richter,
• Manuel Monecke,
• Michael Fronk,
• Svetlana Klyatskaya,
• Daniel Grimm,
• Oliver G. Schmidt,
• Mario Ruben,
• Dietrich R. T. Zahn and
• Georgeta Salvan

Beilstein J. Nanotechnol. 2014, 5, 2070–2078, doi:10.3762/bjnano.5.215

• granted in both cases, since the condition is that the amount of injected carriers is low compared to that of thermally generated carriers. Once the modelling of the current density characteristics for TbPc2 thin films is derived from cs-AFM measurements, it is necessary to account for the electrode

• geometry in the AFM electrical experiments (AFM probe geometry). We apply the modelling approach described in [26], as we use the same AFM probe geometry. Here, the system is treated as an intermediate case between a situation with infinite plane–plane electrodes and a situation with point–plane electrodes

Carbon-based smart nanomaterials in biomedicine and neuroengineering

• Antonina M. Monaco and
• Michele Giugliano

Beilstein J. Nanotechnol. 2014, 5, 1849–1863, doi:10.3762/bjnano.5.196

• or nanoscale roughness (Figure 3c). Moreover, in the same work, mathematical modelling and electrophysiology were used to probe a contingent connection between the effects observed at single-neuron level and those detected at the level of neuronal networks, leading to the speculation that the tight

Silicon and germanium nanocrystals: properties and characterization

• Ivana Capan,
• Alexandra Carvalho and
• José Coutinho

Beilstein J. Nanotechnol. 2014, 5, 1787–1794, doi:10.3762/bjnano.5.189

• regard to growth, characterization and modeling of silicon and germanium nanocrystals and related materials. Keywords: characterization; germanium; modelling; nanocrystals; silicon; Review I Introduction Nanocrystals (NCs) have emerged as one of the preferred ways to control quantum phenomena at the

• MBE. From the experimental point of view, the synthesis of free-standing NCs will not be covered within this review. However, those issues are visited in Section III of this paper, which deals with the first principles modelling of the NCs. II.1 Magnetron co-sputtering This is basically a technique

Controlling the dispersion of supported polyoxometalate heterogeneous catalysts: impact of hybridization and the role of hydrophilicity–hydrophobicity balance and supramolecularity

• Gijo Raj,
• Colas Swalus,
• Eglantine Arendt,
• Pierre Eloy,
• Michel Devillers and
• Eric M. Gaigneaux

Beilstein J. Nanotechnol. 2014, 5, 1749–1759, doi:10.3762/bjnano.5.185

• , Supporting Information File 1). Molecular modelling by Polarz et al. [19] show that the DODA–POM hybrids consist of defined units, in which the cationic surfactant has all protons replaced and is strongly attached to the POM cluster. However, a close examination of our AFM images shows that the nanorods are

Current state of laser synthesis of metal and alloy nanoparticles as ligand-free reference materials for nano-toxicological assays

• Christoph Rehbock,
• Jurij Jakobi,
• Lisa Gamrad,
• Selina van der Meer,
• Daniela Tiedemann,
• Ulrike Taylor,
• Wilfried Kues,
• Detlef Rath and
• Stephan Barcikowski

Beilstein J. Nanotechnol. 2014, 5, 1523–1541, doi:10.3762/bjnano.5.165

• . Theoretical modelling indicates deviations from a linear correlation for silver rich particles [142]. Laser-based synthesis of AuAg alloy nanoparticles may be conducted by two different methods both avoiding chemical precursors and stabilizing ligands. The first one is based on laser post irradiation of

Mimicking exposures to acute and lifetime concentrations of inhaled silver nanoparticles by two different in vitro approaches

• Fabian Herzog,
• Kateryna Loza,
• Sandor Balog,
• Martin J. D. Clift,
• Matthias Epple,
• Peter Gehr,
• Alke Petri-Fink and
• Barbara Rothen-Rutishauser

Beilstein J. Nanotechnol. 2014, 5, 1357–1370, doi:10.3762/bjnano.5.149

• inhalation, NP concentration simulating occupational exposure, and a 3D in vitro lung-cell culture model simulating the human epithelial alveolar/airway barrier. In addition, the effects of aerosolized Ag NPs with Ag NPs applied in suspension were compared and by modelling the deposited Ag NP dose with the

Optical modeling-assisted characterization of dye-sensitized solar cells using TiO₂ nanotube arrays as photoanodes

• Jung-Ho Yun,
• Il Ku Kim,
• Yun Hau Ng,
• Lianzhou Wang and
• Rose Amal

Beilstein J. Nanotechnol. 2014, 5, 895–902, doi:10.3762/bjnano.5.102

• transport property with an increase in TNT length. The initial charge generation rate was improved from 4 × 1021 s−1·cm−3 to 7 × 1021 s−1·cm−3 in DSSCs based on optical modelling analysis. The modelling analysis of optical processes inside TNT-based DSSCs using generalized transfer matrix method (GTMM

Volcano plots in hydrogen electrocatalysis – uses and abuses

• Paola Quaino,
• Fernanda Juarez,
• Elizabeth Santos and
• Wolfgang Schmickler

Beilstein J. Nanotechnol. 2014, 5, 846–854, doi:10.3762/bjnano.5.96

• oxide-covered metals. Another volcano plot was presented by the same group in [33]. It was obtained by kinetic modelling based on the assumption that in all cases the Tafel reaction (Equation 2) is the rate-determining step, and that the Volmer reaction is always in equilibrium – as we have mentioned

Fibrillar adhesion with no clusterisation: Functional significance of material gradient along adhesive setae of insects

• Stanislav N. Gorb and
• Alexander E. Filippov

Beilstein J. Nanotechnol. 2014, 5, 837–845, doi:10.3762/bjnano.5.95

• various lineages of arthropods. Keywords: adhesion; attachment; biomechanics; computer modelling; cuticle; locomotion; material; surface; Introduction The contact formation of insect adhesive pads on various substrates depends on the pad ability to adapt to different surface topographies. The quality of

Injection of ligand-free gold and silver nanoparticles into murine embryos does not impact pre-implantation development

• Ulrike Taylor,
• Wiebke Garrels,
• Annette Barchanski,
• Svea Peterson,
• Laszlo Sajti,
• Andrea Lucas-Hahn,
• Lisa Gamrad,
• Ulrich Baulain,
• Sabine Klein,
• Wilfried A. Kues,
• Stephan Barcikowski and
• Detlef Rath

Beilstein J. Nanotechnol. 2014, 5, 677–688, doi:10.3762/bjnano.5.80

• corona effect has been recently reported and confirmed by molecular modelling to be caused by the blocking of ion channels by gold nanoparticles in embryonic kidney cells, with a stronger bio-response for the nanoparticles with the weaker bound ligands [39]. In organisms as sensitive as developing

Constant chemical potential approach for quantum chemical calculations in electrocatalysis

• Wolfgang B. Schneider and
• Alexander A. Auer

Beilstein J. Nanotechnol. 2014, 5, 668–676, doi:10.3762/bjnano.5.79

• applied in the framework of electronic structure theory in order to assess the properties of nanoparticles, nanostructures or interfaces [11][12][13][14][15]. Today, several approaches are available for modelling the full details of the electronic structure in electrochemical phenomena. The most common

Uncertainties in forces extracted from non-contact atomic force microscopy measurements by fitting of long-range background forces

• Adam Sweetman and
• Andrew Stannard

Beilstein J. Nanotechnol. 2014, 5, 386–393, doi:10.3762/bjnano.5.45

• commonly used extrapolation method modelling the long-range forces using a simple power law. By examining the behaviour of the fitting method in the case of two radically different interaction potentials we show that significant uncertainties in the final extracted forces may result from use of the

• exception to this is the discussion that has surrounded Kelvin probe force microscopy (KPFM) where accurate modelling of this long-range regime is critical to interpreting results [8][9][10]. Nonetheless, long-range forces are readily subtracted in the literature using this method, often using simplistic

• models [1][6][11][12][13][14]. Results are then often compared to DFT modelling with subsequent interpretation of the data requiring accuracies on the order of a few 100’s [1][13], or sometimes even 10’s [12], of piconewtons. Interestingly, this technique has sometimes been applied in instances where

Control theory for scanning probe microscopy revisited

• Julian Stirling

Beilstein J. Nanotechnol. 2014, 5, 337–345, doi:10.3762/bjnano.5.38

• tracking without a high derivative component [13], which is entirely at odds with experimental observations. This paper employs analysis of specific SPM PI controllers to provide a more appropriate method for modelling such systems. Results and Discussion When modelling an SPM feedback loop we must first

• gone unnoticed to date because it has been ‘disguised’ by the more complicated modelling of the response of the various other electrical and electromechanical components of the SPM (amplifiers, piezoelectric actuators). It is helpful to draw an analogy with the most commonly considered control system

• is a 1/(Kp + 1) of the required extension. This has previously been mistaken as a steady-state error common to proportional controllers [9]. However, when plotted without any modelling of other components it becomes clear that it results from the controller that only acts to the initial impulse. From

Confinement dependence of electro-catalysts for hydrogen evolution from water splitting

• Mikaela Lindgren and
• Itai Panas

Beilstein J. Nanotechnol. 2014, 5, 195–201, doi:10.3762/bjnano.5.21

• upon H2 release, violating Sabatiers principle. In conclusion, the present approach offers a complementary computational strategy to rank catalysts for HER from water splitting. The complex modelling of heterogeneous HER electro-catalysis at the interface between composite catalyst/support and a water

The role of oxygen and water on molybdenum nanoclusters for electro catalytic ammonia production

• Jakob G. Howalt and
• Tejs Vegge

Beilstein J. Nanotechnol. 2014, 5, 111–120, doi:10.3762/bjnano.5.11

• adsorbates (N, H, O, NH, etc.); these were carried out using the BFGS and FIRE [18] optimizers within ASE. Electrochemical modelling The procedure for electrochemical reduction of nitrogen molecules through the associative mechanism is outlined in [2][16]. It was shown that the associative mechanism is the

Structural development and energy dissipation in simulated silicon apices

• Samuel Paul Jarvis,
• Lev Kantorovich and
• Philip Moriarty

Beilstein J. Nanotechnol. 2013, 4, 941–948, doi:10.3762/bjnano.4.106

• temperature. This is evidenced by numerous studies, which have shown the manipulation of single atoms in both lateral and vertical directions, which was made possible by the strong covalent nature of the bonding [25]. As such, understanding the AFM tip structure and successfully modelling experimental

Ellipsometry and XPS comparative studies of thermal and plasma enhanced atomic layer deposited Al₂O₃-films

• Jörg Haeberle,
• Karsten Henkel,
• Hassan Gargouri,
• Franziska Naumann,
• Bernd Gruska,
• Michael Arens,
• Massimo Tallarida and
• Dieter Schmeißer

Beilstein J. Nanotechnol. 2013, 4, 732–742, doi:10.3762/bjnano.4.83

• spectroscopic ellipsometry in the middle infrared wavelength range (MIR) the SENDIRA ellipsometer from SENTECH Instruments GmbH was performed. A Step scan analyser for high spectroscopic accuracy was used at an angle of incidence of 70°. Modelling was carried out using SpectraRay 3 software. The model layer

Novel composite Zr/PBI-O-PhT membranes for HT-PEFC applications

• Mikhail S. Kondratenko,
• Igor I. Ponomarev,
• Marat O. Gallyamov,
• Dmitry Y. Razorenov,
• Yulia A. Volkova,
• Elena P. Kharitonova and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2013, 4, 481–492, doi:10.3762/bjnano.4.57

• resistance of a cell, Rm, (mainly membrane resistance); the distributed resistance of proton transport in the cathode AL, Rel; the charge transfer resistance, Rct; and the double layer capacitance, C (Figure 2). Fitting of the impedance spectra was performed by means of the Zview modelling software using the

• lead to a lowering of the PA doping level and a lower conductivity due to a higher degree of crosslinking. Chemical structure of poly[oxy-3,3-bis(4′-benzimidazol-2″-ylphenyl)phtalide-5″(6″)-diyl] (PBI-O-PhT). Equivalent circuit with a transmission line for modelling the impedance response of the active

A highly pH-sensitive nanowire field-effect transistor based on silicon on insulator

• Denis E. Presnov,
• Sergey V. Amitonov,
• Pavel A. Krutitskii,
• Valentina V. Kolybasova,
• Igor A. Devyatov,
• Vladimir A. Krupenin and
• Igor I. Soloviev

Beilstein J. Nanotechnol. 2013, 4, 330–335, doi:10.3762/bjnano.4.38

• transport-current fluctuations SI by considering an equivalent scheme with a series connection of resistors modelling NW and Schottky barriers with uncorrelated fluctuation generators: Our four-probe measurements of the NW resistance R and Schottky barrier resistance RB at room temperature show that R >> RB

Determining cantilever stiffness from thermal noise

• Jannis Lübbe,
• Matthias Temmen,
• Philipp Rahe,
• Angelika Kühnle and
• Michael Reichling

Beilstein J. Nanotechnol. 2013, 4, 227–233, doi:10.3762/bjnano.4.23

• derived from a thermal measurement and do not require any modelling to relate geometric cantilever properties to oscillation properties. Displacement noise spectral density measured for the fundamental mode of cantilever V 4. Measurements represent the average of 50,000 spectra. (a) Measurement yielding