All Outputs (704)

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.

Photopatterning, Etching, and Derivatization of Self-Assembled Monolayers of Phosphonic Acids on the Native Oxide of Titanium (2009)
Journal Article
Tizazu, G., Adawi, A. M., Leggett, G. J., & Lidzey, D. G. (2009). Photopatterning, Etching, and Derivatization of Self-Assembled Monolayers of Phosphonic Acids on the Native Oxide of Titanium. Langmuir : the ACS journal of surfaces and colloids, 25(18), 10746-10753. https://doi.org/10.1021/la901271c

Electron-hole pair formation at titania surfaces leads to the formation of reactive species that degrade organic materials. Here, we describe the degradation of self-assembled monolayers of alkylphosphonic acids on the native oxide of titanium follow... Read More about Photopatterning, Etching, and Derivatization of Self-Assembled Monolayers of Phosphonic Acids on the Native Oxide of Titanium.

Opening the light extraction cone of high index substrates with plasmonic gratings: Light emitting diode applications (2009)
Journal Article
Drezet, A., Przybilla, F., Laux, E., Mahboub, O., Genet, C., Ebbesen, T. W., Bouillard, J. S., Zayats, A., Spevak, I. S., Zayats, A. V., Nikitin, A. Y., & Martín-Moreno, L. (2009). Opening the light extraction cone of high index substrates with plasmonic gratings: Light emitting diode applications. Applied physics letters, 95(2), 021101. https://doi.org/10.1063/1.3176435

The opening of the light extraction cone of a high index substrate (GaP) is demonstrated using plasmonic gratings. We show that the excitation of surface plasmons on the metal grating leads to the extraction of light otherwise undergoing total intern... Read More about Opening the light extraction cone of high index substrates with plasmonic gratings: Light emitting diode applications.

Study of molecular spin-crossover complex Fe(phen)(2)(NCS)(2) thin films (2009)
Journal Article
Shi, S., Schmerber, G., Arabski, J., Beaufrand, J.-B., Kim, D. J., Boukari, S., Bowen, M., Kemp, N. T., Viart, N., Rogez, G., Beaurepaire, E., Aubriet, H., Petersen, J., Becker, C., & Ruch, D. (2009). Study of molecular spin-crossover complex Fe(phen)(2)(NCS)(2) thin films. Applied physics letters, 95(4), 043303. https://doi.org/10.1063/1.3192355

We report on the growth by evaporation under high vacuum of high-quality thin films of Fe(phen)(2)(NCS)(2) (phen=1,10-phenanthroline) that maintain the expected electronic structure down to a thickness of 10 nm and that exhibit a temperature-driven s... Read More about Study of molecular spin-crossover complex Fe(phen)(2)(NCS)(2) thin films.

Experimental study of the lasing modes of 1.3-μm highly strained InGaAs-GaAs quantum-well oxide-confined VCSELs (2009)
Journal Article
Gérard, J. M., Pougeoise, E., Gilet, P., Grosse, P., Grenouillet, L., Chelnokov, A., Gerard, J.-M., Bouillard, J. S., Lerondel, G., Blaize, S., Vilain, S., Bachelot, R., Royer, P., Hamelin, R., Berggren, J., Sundgren, P., & Hammar, M. (2009). Experimental study of the lasing modes of 1.3-μm highly strained InGaAs-GaAs quantum-well oxide-confined VCSELs. IEEE Photonics Technology Letters, 21(6), 377-379. https://doi.org/10.1109/LPT.2008.2012170

We present an experimental study of the main modes involved in the emission properties of InGaAs-GaAs quantum-well oxide-confined long wavelength vertical-cavity surface-emitting lasers. Lasing properties are dominated by the so-called "oxide modes"... Read More about Experimental study of the lasing modes of 1.3-μm highly strained InGaAs-GaAs quantum-well oxide-confined VCSELs.

Single molecule spectroscopy of red- and green-emitting fluorene-based copolymers (2009)
Journal Article
Khalil, G. E., Adawi, A. M., Fox, A. M., Iraqi, A., & Lidzey, D. G. (2009). Single molecule spectroscopy of red- and green-emitting fluorene-based copolymers. The Journal of chemical physics, 130(4), 044903. https://doi.org/10.1063/1.3054142

Single molecule fluorescence spectroscopy is used to study the optical properties of two polymers: a fluorene-based statistical copolymer that contains a low fraction (10%) of a red-emitting thiophene group, and the green-emitting polymer poly(9,9-di... Read More about Single molecule spectroscopy of red- and green-emitting fluorene-based copolymers.

Grazing incidence X-ray diffraction of a photoaligned nematic semiconductor (2009)
Journal Article
Dröge, S., Khalifah, M. S. A., O'Neill, M., Thomas, H. E., Simmonds, H. S., Macdonald, J. E., Aldred, M. P., Vlachos, P., Kitney, S. P., Löbbert, A., & Kelly, S. M. (2009). Grazing incidence X-ray diffraction of a photoaligned nematic semiconductor. Journal of Physical Chemistry B, 113(1), 49-53. https://doi.org/10.1021/jp803379a

Grazing incidence X-ray diffraction is used to find the thin film morphology of an extended molecule with an irregular alternating fluorene - thiophene structure, which is used to obtain linearly polarized electroluminescence and the photovoltaic eff... Read More about Grazing incidence X-ray diffraction of a photoaligned nematic semiconductor.

Characteristics of the nucleation and growth of template-free polyaniline nanowires and fibrils (2008)
Journal Article
Kemp, N. T., Cochrane, J. W., & Newbury, R. (2009). Characteristics of the nucleation and growth of template-free polyaniline nanowires and fibrils. Synthetic Metals, 159(5-6), 435-444. https://doi.org/10.1016/j.synthmet.2008.11.001

Template-free electrochemical deposition of large arrays of uniform and oriented conducting polymer nanowires has recently been demonstrated. In this article, we build upon the key earlier findings and report new phenomena (initial formation of a 2D... Read More about Characteristics of the nucleation and growth of template-free polyaniline nanowires and fibrils.

Fast vibrational calculation of anharmonic OH-stretch frequencies for two low-energy noradrenaline conformers (2008)
Journal Article
Benoit, D. M. (2008). Fast vibrational calculation of anharmonic OH-stretch frequencies for two low-energy noradrenaline conformers. The Journal of chemical physics, 129(23), Article 234304. https://doi.org/10.1063/1.3040427

We introduce a new reduced-coupling technique to accelerate direct calculations of a selected number of vibrational frequencies in large molecular systems. Our method combines the advantages of the single-to-all correlation-corrected vibrational self... Read More about Fast vibrational calculation of anharmonic OH-stretch frequencies for two low-energy noradrenaline conformers.

Optical nanolithography using a scanning near-field probe with an integrated light source (2008)
Journal Article
Kingsley, J. W., Ray, S. K., Adawi, A. M., Leggett, G. J., & Lidzey, D. G. (2008). Optical nanolithography using a scanning near-field probe with an integrated light source. Applied physics letters, 93(21), Article 213103. https://doi.org/10.1063/1.3032912

An ultracompact near-field optical probe is described that is based on a single, integrated assembly consisting of a gallium nitride (GaN) light-emitting diode (LED), a microlens, and a cantilever assembly containing a hollow pyramidal probe with a s... Read More about Optical nanolithography using a scanning near-field probe with an integrated light source.

A new approach to photoalignment: photo-addition to a self-assembled monolayer (2008)
Journal Article
Dröge, S., O'Neill, M., Löbbert, A., Kitney, S. P., Kelly, S. M., Wei, P., & Dong, D. (2009). A new approach to photoalignment: photo-addition to a self-assembled monolayer. Journal of Materials Chemistry, 19(2), 274-279. https://doi.org/10.1039/b812226a

Photoalignment used to control the orientation of nematic liquid crystals in LCDs usually involves the photochemical modification of the chemical structure of an organic thin film so that an optical and/or steric anisotropy is developed. We now demon... Read More about A new approach to photoalignment: photo-addition to a self-assembled monolayer.

Inscription of fibre Bragg gratings in non-sensitised fibres using VUV F2 laser radiation (2008)
Journal Article
Dyer, P. E., Johnson, A. M., & Walton, C. D. (2008). Inscription of fibre Bragg gratings in non-sensitised fibres using VUV F2 laser radiation. Optics express, 16(23), 19297-19303. https://doi.org/10.1364/OE.16.019297

We report the inscription of fibre Bragg gratings in non-sensitised SMF 28 and HI 980 fibre by exposure to VUV F2 laser radiation at 157nm. The modulated effective refractive index change Δneff deduced from the shift in the grating reflection peaks w... Read More about Inscription of fibre Bragg gratings in non-sensitised fibres using VUV F2 laser radiation.

A design for an optical-nanocavity optimized for use with surface-bound light-emitting materials (2008)
Journal Article
Adawi, A. M., & Lidzey, D. G. (2008). A design for an optical-nanocavity optimized for use with surface-bound light-emitting materials. New Journal of Physics, 10(6), 065011. https://doi.org/10.1088/1367-2630/10/6/065011

We model the modification in the spontaneous emission (SE) rate of an emitting dipole placed on the surface of a two-dimensional (2D) L3 optical nanocavity using 3D FDTD calculations. We show that by introducing a concave region into the cavity-surfa... Read More about A design for an optical-nanocavity optimized for use with surface-bound light-emitting materials.

Phonon-plasmon coupled-mode lifetime in semiconductors (2008)
Journal Article
Dyson, A., & Ridley, B. K. (2008). Phonon-plasmon coupled-mode lifetime in semiconductors. Journal of applied physics, 103(11), 114507. https://doi.org/10.1063/1.2937918

Raman scattering measurements of the lifetime of hot phonons in GaN show a decrease with increasing electron concentration. Density-dependent lifetimes have also been deduced from noise measurements of AlGaN/GaN channels. We suggest that the results... Read More about Phonon-plasmon coupled-mode lifetime in semiconductors.

On the structure and chiroptical properties of (S)-4-isopropyl-oxazolidin-2-one (2008)
Journal Article
Benoit, D., Coulbeck, E., Eames, J., & Motevalli, M. (2008). On the structure and chiroptical properties of (S)-4-isopropyl-oxazolidin-2-one. Tetrahedron: Asymmetry, 19(9), 1068-1077. https://doi.org/10.1016/j.tetasy.2008.03.032

The specific rotation of (S)-4-isopropyl-oxazolidin-2-one is extremely solvent dependent. In chloroform it is dextrorotatory {[α] D 26 = + 15.5 (c 5.2, CHCl 3 )}, whereas in ethanol it is levorotatory {[α] D 26 = - 16.1 (c 5.2, EtOH)}. © 2008 Elsevie... Read More about On the structure and chiroptical properties of (S)-4-isopropyl-oxazolidin-2-one.

White-light OLEDs using liquid crystal polymer networks (2008)
Journal Article
Liedtke, A., O'Neill, M., Wertmöller, A., Kitney, S. P., & Kelly, S. M. (2008). White-light OLEDs using liquid crystal polymer networks. Chemistry of materials : a publication of the American Chemical Society, 20(11), 3579-3586. https://doi.org/10.1021/cm702925f

We have mixed nematic light-emitting liquid crystals and incorporated them as insoluble cross-linked polymer networks in a liquid crystal white-light organic light-emitting diode (LC-WOLED). The light emission is not voltage-dependent and polarized w... Read More about White-light OLEDs using liquid crystal polymer networks.