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A B S T R A C T S THURSDAY, JULY 1 N A N O S E A 2 0 1 0 [2] M. Ohkita, J.-M. Lehn, G. Baum and D. Fenske, Chem. Eur. J. 1999, 5, 3471-3481. [3] C. Katan et al., to be published. 11H30-11H50 Structure of MgO nano-islands on metallic substrates: A semi-empirical, order N, Hartree-Fock simulation. C. Noguera*, J. Goniakowski*, J. Godet** (*Institut des Nanosciences de Paris, France. **Physique des matériaux, Poitiers). In the last decade, there have been intense efforts to synthetize ultra-thin oxide layers deposited on metal substrates. It has been recognized that, in most cases, their properties largely differ from their bulk analogues, and may be tuned as a function of orientation, thickness and support characteristics. Moreover, lateral confinement gives additional degrees of freedom for engineering artificial objects. However, at small sizes, nano-objects are strongly influenced by the interaction with the substrate, both electronically and structurally. This raises questions related to epitaxial growth, formation of Moiré patterns, presence of interfacial dislocations, and elastic relaxation at the interfaces. In order to decipher the microscopic mechanisms involved, atomistic numerical simulations are of great help. They can complement other approaches based on linear elasticity or theoretical models such as the Frenkel- Kontorova model. However, atomistic simulations of nano-oxides are presently subject to either sever size limitations if first principles methods are used, or suffer from a limited or absent account for the electronic degrees of freedom if classical methods are chosen (extended Born models, chemical potential equalization, etc). We have developed a semi-empirical Hartree-Fock simulation code, which scales linearly with the system size. It correctly treats the self consistent relationship between the charge distribution and the electrostatic potential acting on the electrons. The adjustable parameters are fitted as to reproduce experimental or first principles results on several periodic systems and on a variety of small clusters. In order to achieve order N scaling, a “divide and conquer” strategy is adopted. We will present the basis of the method, and discuss the epitaxial properties of metal-supported MgO square islands. We will discuss commensurability locking, interface dislocations, island magicity and local electronic properties. We will also show how these properties behave as a function of the strength of interaction with the substrate and of the lattice mismatch, thus producing a “phase diagram” in which size effects will be discussed. Finally, we will make a link with recent experimental results of MgO clusters or layers deposited on Ag(100) and Mo(100). Support of the French ANR-PNANO 2006 (project “SIMINOX” 009 03) is acknowledged. 109
A B S T R A C T S THURSDAY, JULY 1 N A N O S E A 2 0 1 0 11H50-12H10 Amorphous silicon-carbon alloys for efficient sensing through localized surface plasmon and fluorescence detection. L. Touahir1, E. Galopin2, R. Boukherroub2, J.-N. Chazalviel1, F. Ozanam 1, S. Szunerits2, A. C. Gouget-Laemmel 1* (1Physique de la matière condensée, Ecole Polytechnique – CNRS, France, 2Interdisciplinary Research Insitute (IRI), France). Anne-chantal.gouget@polytechnique.fr 1 – Introduction Biosensors based on the detection of fluorescence and/or surface plasmon resonance (SPR) are widely used owing to their ease of processing. Whereas fluorescence detection is more sensitive, SPR devices have the interest of allowing for a label-free detection. In most cases, the change in the resonance of propagating surface plasmons is detected. When surface plasmons are confined on metallic nanostructures, localized optical modes are observed, leading to highly localized electromagnetic fields in the vicinity of the particles. Localized surface plasmon resonance (LSPR) is sensitive to local refractive index changes that occur when surface reactions take place. The bonding of chemical and biological ligands to LSPR interfaces is mostly performed through the formation of Au-S bonds by the use of thiolated molecules, which can limit the sensing performances. 2 – Abstract We have designed LSPR biosensors based on a thin layer of hydrogenated amorphous silicon-carbon alloy (a-SixC1-x:H) deposited by Plasma Enhanced Chemical Vapor Deposition (PECVD) on a gold nanostructure, with optimized optical sensitivity and surface chemistry. This allows for incorporating carboxyl–terminated molecules bound to the surface via Si-C covalent bonds. Such functions make the probe immobilization easy through reaction with amine terminations. The sensitivity is maximized by optimization of the amorphous layer thickness and the carbon content. 3 – Conclusion DNA hybridization can be detected by following the change in the device absorbance. Using the same substrates, we can also detect the hybridization by fluorescence, which is enhanced by the LSPR. The obtained sensitivity allows for monitoring the hybridization of DNA probes with their complementary DNA in situ and in real time. Many successive hybridization/dehybridization cycles have been recorded without measurable changes. Quite low background fluorescence is measured, allowing for the convenient detection of the hybridization from low-concentration target solutions (down to 5 fM). 12H10-12H30 The Formation of Quantum Dots in Thin Nanostructured Films. Lyudmila Kveglis1, Riza Abylkalykova2, Viktor Zhigalov3 (1 Siberian Federal University, 2 East Kazakhstan State Technical University, 3 Kirensky Institute of Physics SB RAS). kveglis@iph.krasn.ru, rabylkalykova@mail.ru, zhigalov@iph.krasn.ru 1 – Introduction In this work the nanocrystalline films with Frank-Kasper structure were examined as material for creating of quantum dots. An ability to create all-inorganic Quantum Dots may be considered for Co80C20, Tb30Fe70, Fe86Mn13C and Co50Pd50 films. 110
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