All Outputs (750)

Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis (2010)
Journal Article
Scribano, Y., Lauvergnat, D. M., & Benoit, D. M. (2010). Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis. The Journal of chemical physics, 133(9), 094103 - 0. https://doi.org/10.1063/1.3476468

In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self-consistent field (VSCF)/vibrational configuration interaction (VCI) method for the calculation of vibrational anharmonic frequencies. By combining th... Read More about Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis.

Optical properties of light-emitting nematic liquid crystals: A joint experimental and theoretical study (2010)
Journal Article
Liedtke, A., O'Neill, M., Kelly, S. M., Kitney, S. P., van Averbeke, B., Boudard, P., Beljonne, D., & Cornil, J. (2010). Optical properties of light-emitting nematic liquid crystals: A joint experimental and theoretical study. Journal of Physical Chemistry B, 114(37), 11975-11982. https://doi.org/10.1021/jp104280w

Semiempirical quantum-chemical calculations are used to simulate the optical properties of a series of green light-emitting nematic liquid crystals containing fluorene, thiophene, or thienothiophene groups with solid-state photoluminescence quantum e... Read More about Optical properties of light-emitting nematic liquid crystals: A joint experimental and theoretical study.

Nanotrench for nano and microparticle electrical interconnects (2010)
Journal Article
Dayen, J.-F., Faramarzi, V., Pauly, M., Kemp, N. T., Barbero, M., Pichon, B. P., Majjad, H., Begin-Colin, S., & Doudin, B. (2010). Nanotrench for nano and microparticle electrical interconnects. Nanotechnology, 21(33), Article 335303. https://doi.org/10.1088/0957-4484/21/33/335303

We present a simple and versatile patterning procedure for the reliable and reproducible fabrication of high aspect ratio (10 4 ) electrical interconnects that have separation distances down to 20 nm and lengths of several hundreds of microns. The pr... Read More about Nanotrench for nano and microparticle electrical interconnects.

Hyperspectral imaging with scanning near-field optical microscopy: applications in plasmonics (2010)
Journal Article
Bouillard, J. S., Vilain, S., Dickson, W., & Zayats, A. V. (2010). Hyperspectral imaging with scanning near-field optical microscopy: applications in plasmonics. Optics express, 18(16), 16513-16519. https://doi.org/10.1364/OE.18.016513

We present the realisation of near-field spectroscopic measurements with fibre-tip-based scanning near-field microscopy. It allows the simultaneous acquisition of near-field images in a broad spectral range (400 nm to 1000 nm), thus recovering local... Read More about Hyperspectral imaging with scanning near-field optical microscopy: applications in plasmonics.

Transmission properties of plasmonic metamaterial quantum cascade lasers (2010)
Journal Article
Austin, D., Mullin, N., Bismuto, A., Luxmoore, I., Adawi, A. M., Revin, D. G., Soulby, M., Cockburn, J. W., Jiang, Q., Krysa, A. B., Cullis, A. G., Faist, J., Hobbs, J. K., & Wilson, L. R. (2010). Transmission properties of plasmonic metamaterial quantum cascade lasers. IEEE Photonics Technology Letters, 22(16), 1217-1219. https://doi.org/10.1109/LPT.2010.2052595

We report the results of transmission experiments performed on hybridized plasmonic metamaterial quantum cascade lasers. This device was formed by etching an array of split ring resonators (SRRs) onto the gold coated facet of a laser. Broadband midin... Read More about Transmission properties of plasmonic metamaterial quantum cascade lasers.

VUV 157 nm laser ablation of composite structures (2010)
Journal Article
Cockcroft, S., Walton, C. D., & Zakaria, R. (2010). VUV 157 nm laser ablation of composite structures. Applied physics. A, Materials science & processing, 101(2), 379-383. https://doi.org/10.1007/s00339-010-5831-9

We report on the laser ablation of composite prismatic structures using a vacuum ultraviolet (VUV) 157 nm F 2 laser. Polycarbonate and CR-39 substrates have been intentionally seeded with silver wires and silicon carbide whiskers respectively. The s... Read More about VUV 157 nm laser ablation of composite structures.

An optical nanocavity incorporating a fluorescent organic dye having a high quality factor (2010)
Journal Article
Adawi, A. M., Fry, P. W., Lidzey, D. G., & Murshidy, M. M. (2010). An optical nanocavity incorporating a fluorescent organic dye having a high quality factor. ACS Nano, 4(6), 3039-3044. https://doi.org/10.1021/nn1001479

We have fabricated an L3 optical nanocavity operating at visible wavelengths that is coated with a thin-film of a fluorescent molecular-dye. The cavity was directly fabricated into a pre-etched, free-standing silicon-nitride (SIN) membrane and had a... Read More about An optical nanocavity incorporating a fluorescent organic dye having a high quality factor.

Optical transmission of periodic annular apertures in metal film on high-refractive index substrate: The role of the nanopillar shape (2010)
Journal Article
Bouillard, J. S., Einsle, J., Dickson, W., Rodrigo, S. G., Carretero-Palacios, S., Martin-Moreno, L., Garcia-Vidal, F. J., & Zayats, A. V. (2010). Optical transmission of periodic annular apertures in metal film on high-refractive index substrate: The role of the nanopillar shape. Applied physics letters, 96(20), Article 201101. https://doi.org/10.1063/1.3427390

The influence of annular aperture parameters on the optical transmission through arrays of coaxial apertures in a metal film on high refractive index substrates has been investigated experimentally and numerically. It is shown that the transmission r... Read More about Optical transmission of periodic annular apertures in metal film on high-refractive index substrate: The role of the nanopillar shape.

One-step photoembossing for submicrometer surface relief structures in liquid crystal semiconductors (2010)
Journal Article
Liedtke, A., Lei, C., O’Neill, M., Dyer, P. E., Kitney, S. P., & Kelly, S. M. (2010). One-step photoembossing for submicrometer surface relief structures in liquid crystal semiconductors. ACS Nano, 4(6), 3248-3253. https://doi.org/10.1021/nn100012g

We report a new single-step method to directly imprint nanometer-scale structures on photoreactive organic semiconductors. A surface relief grating is spontaneously formed when a light-emitting, liquid crystalline, and semiconducting thin film is irr... Read More about One-step photoembossing for submicrometer surface relief structures in liquid crystal semiconductors.

Obtaining Effective Pair Potentials in Colloidal Monolayers Using a Thermodynamically Consistent Inversion Scheme (2010)
Journal Article
Law, A. D., & Buzza, D. M. A. (2010). Obtaining Effective Pair Potentials in Colloidal Monolayers Using a Thermodynamically Consistent Inversion Scheme. Langmuir : the ACS journal of surfaces and colloids, 26(10), 7107-7116. https://doi.org/10.1021/la9037233

The structure and stability of colloidal monolayers depends crucially on the effective pair interaction potential u(r) between colloidal particles. In this study, we construct a novel method for extracting u(r) from the two-dimensional (2D) radial di... Read More about Obtaining Effective Pair Potentials in Colloidal Monolayers Using a Thermodynamically Consistent Inversion Scheme.

The optical properties of hybrid organic-inorganic L3 nanocavities (2010)
Journal Article
Murshidy, M. M., Adawi, A. M., Fry, P. W., Whittaker, D. M., & Lidzey, D. G. (2010). The optical properties of hybrid organic-inorganic L3 nanocavities. Journal of the Optical Society of America B, 27(2), 215-221. https://doi.org/10.1364/JOSAB.27.000215

We report the fabrication of L3 nanocavities defined into a free-standing silicon nitride (SiN) membrane coated with a thin (10 nm) film of fluorescent red-emitting conjugated polymer. We find that structures both with and without the conjugated poly... Read More about The optical properties of hybrid organic-inorganic L3 nanocavities.

Education and poverty in affluent countries (2010)
Book
Dyson, A., Raffo, C., Gunter, H., & Jones, L. (2010). Education and poverty in affluent countries. Routledge

Rationalising the vibrational spectra of biomolecules using atomistic simulations (2009)
Journal Article
Benoit, D. M. (2009). Rationalising the vibrational spectra of biomolecules using atomistic simulations. Frontiers in Bioscience, 14(11), 4229-4241. https://doi.org/10.2741/3525

This review presents an account of the recent developments in the use of atomistic simulations to predict vibrational spectra of biomolecules. I give an overview of the concepts used in the various theoretical vibrational models and discuss their rel... Read More about Rationalising the vibrational spectra of biomolecules using atomistic simulations.

Statistical properties of Hα flares in relation to sunspots and active regions in the cycle 23 (2009)
Journal Article
Zharkov, S. I., & Zharkova, V. V. (2011). Statistical properties of Hα flares in relation to sunspots and active regions in the cycle 23. Journal of atmospheric and solar-terrestrial physics, 73(2-3), 264-270. https://doi.org/10.1016/j.jastp.2009.11.010

The statistical properties of Hα flare occurrences compared with those of sunspot and active region areas in the cycle 23. The flare numbers in the cycle 23 of all significances and locations were obtained from the Solar Geophysical Data (SGD) and th... Read More about Statistical properties of Hα flares in relation to sunspots and active regions in the cycle 23.

Determination of interaction potentials of colloidal monolayers from the inversion of pair correlation functions: A two-dimensional predictor-corrector method (2009)
Journal Article
Law, A. D., & Buzza, D. M. A. (2009). Determination of interaction potentials of colloidal monolayers from the inversion of pair correlation functions: A two-dimensional predictor-corrector method. The Journal of chemical physics, 131(9), 094704 - 094704. https://doi.org/10.1063/1.3216568

The structure and stability of colloidal monolayers depend crucially on the effective pair potential u (r) between colloidal particles. In this paper, we develop a two-dimensional (2D) predictor-corrector method for extracting u (r) from the pair cor... Read More about Determination of interaction potentials of colloidal monolayers from the inversion of pair correlation functions: A two-dimensional predictor-corrector method.

The origin of the light distribution in spiral galaxies (2009)
Journal Article
Sanchez-Blazquez, P., Courty, S., Gibson, B. K., & Brook, C. B. (2009). The origin of the light distribution in spiral galaxies. Monthly notices of the Royal Astronomical Society, 398(2), 591-606. https://doi.org/10.1111/j.1365-2966.2009.15133.x

We analyse a high-resolution, fully cosmological, hydrodynamical disc galaxy simulation, to study the source of the double-exponential light profiles seen in many stellar discs, and the effects of stellar radial migration upon the spatiotemporal evol... Read More about The origin of the light distribution in spiral galaxies.

Micelle Formation in Block Copolymer/Homopolymer Blends: Comparison of Self-Consistent Field Theory with Experiment and Scaling Theory (2009)
Journal Article
Greenall, M. J., Buzza, M., & McLeish, T. C. B. (2009). Micelle Formation in Block Copolymer/Homopolymer Blends: Comparison of Self-Consistent Field Theory with Experiment and Scaling Theory. Macromolecules, 42(15), 5873 - 5880. https://doi.org/10.1021/ma9000594

We present a self-consistent Field theory (SCFT) Study of spherical micelle formation in a blend of poly(styrene-butadiene) diblocks and homopolystyrene. The micelle core radii, corona thicknesses, and critical micelle concentrations are calculated a... Read More about Micelle Formation in Block Copolymer/Homopolymer Blends: Comparison of Self-Consistent Field Theory with Experiment and Scaling Theory.

Fast degenerate correlation-corrected vibrational self-consistent field calculations of the vibrational spectrum of 4-mercaptopyridine (2009)
Journal Article
Respondek, I., & Benoit, D. M. (2009). Fast degenerate correlation-corrected vibrational self-consistent field calculations of the vibrational spectrum of 4-mercaptopyridine. The Journal of chemical physics, 131(5), 054109. https://doi.org/10.1063/1.3193708

We introduce a fast degeneracy-corrected vibrational second-order Møller-Plesset (fast-DCVMP2) method to compute anharmonic vibrational spectra of large molecules where the computational cost of the full potential energy surface is high. We examine t... Read More about Fast degenerate correlation-corrected vibrational self-consistent field calculations of the vibrational spectrum of 4-mercaptopyridine.

Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study (2009)
Journal Article
Künzel, D., Markert, T., Groß, A., & Benoit, D. M. (2009). Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study. Physical chemistry chemical physics : PCCP, 11(39), 8867-8878. https://doi.org/10.1039/b907443k

Host-guest networks formed by ordered organic layers are promising candidates for applications in molecular storage and quantum computing. We have studied 2-dimensionally ordered surface template structures of bis(terpyridine)-derived molecules (BTPs... Read More about Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study.

Micelle shape transitions in block copolymer/homopolymer blends: comparison of self-consistent field theory with experiment (2009)
Journal Article
Greenall, M. J., Buzza, D. M. A., & McLeish, T. C. B. (2009). Micelle shape transitions in block copolymer/homopolymer blends: comparison of self-consistent field theory with experiment. The Journal of chemical physics, 131(3), Article 034904. https://doi.org/10.1063/1.3170938

Diblock copolymers blended with homopolymer may self-assemble into spherical, cylindrical, or lamellar aggregates. Transitions between these structures may be driven by varying the homopolymer diblock molecular weight or composition. Using self-consi... Read More about Micelle shape transitions in block copolymer/homopolymer blends: comparison of self-consistent field theory with experiment.