All Outputs (750)

A new polymorph (IV) of benzamide: Structural characterization and mechanism of the I↔IV phase transition (2011)
Journal Article
Benoit, D. M., Ectors, P., Duchstein, P., Breu, J., & Zahn, D. (2011). A new polymorph (IV) of benzamide: Structural characterization and mechanism of the I↔IV phase transition. Chemical Physics Letters, 514(4-6), 274-277. https://doi.org/10.1016/j.cplett.2011.08.071

We present a molecular simulation study dedicated to the manifold of benzamide crystal structures. Along this line, a new polymorph (IV) is identified and structurally characterized. The new polymorph exhibits the same hydrogen bonded network as the... Read More about A new polymorph (IV) of benzamide: Structural characterization and mechanism of the I↔IV phase transition.

Light extraction beyond total internal reflection using one-dimensional plasmonic crystals (2011)
Journal Article
McCarron, R., O'Connor, D., Bouillard, J. S., Dickson, W., & Zayats, A. V. (2011). Light extraction beyond total internal reflection using one-dimensional plasmonic crystals. Applied physics letters, 99(8), Article 081106. https://doi.org/10.1063/1.3628330

We demonstrate the application of plasmonic crystals for extracting light trapped in the substrate due to total internal reflection (TIR). The broadband transmission properties of one-dimensional plasmonic crystals have been investigated, both experi... Read More about Light extraction beyond total internal reflection using one-dimensional plasmonic crystals.

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces (2011)
Journal Article
Benoit, D. M., Madebene, B., Ulusoy, I., Mancera, L., Scribano, Y., & Chulkov, S. (2011). Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces. Beilstein journal of nanotechnology, 2(1), 427-447. https://doi.org/10.3762/bjnano.2.48

We present a theoretical framework for the computation of anharmonic vibrational frequencies for large systems, with a particular focus on determining adsorbate frequencies from first principles. We give a detailed account of our local implementation... Read More about Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces.

Liquid crystalline organic semiconductors: nematic spiro[cyclopentyl-1,9']fluorenes (2011)
Journal Article
Billa, M. R., Kassireddy, K., Haro, M., Al-Kalifah, M. S., Kelly, S. M., Kitney, S. P., & O'Neill, M. (2011). Liquid crystalline organic semiconductors: nematic spiro[cyclopentyl-1,9']fluorenes. Liquid crystals, 38(7), 813-829. https://doi.org/10.1080/02678292.2011.577913

A number of nematic spiro[cyclopentyl-1,9′]fluorene reactive mesogens with polymerisable oxetane or non-conjugated diene end-groups have been successfully synthesised. The melting and clearing points of these new spiro[cyclopentyl-1,9′]fluorenes are... Read More about Liquid crystalline organic semiconductors: nematic spiro[cyclopentyl-1,9']fluorenes.

Controlling the self-assembly of binary copolymer mixtures in solution through molecular architecture (2011)
Journal Article
McLeish, T. C. B., Butler, M. F., Buzza, D. M. A., Atkins, D., Furzeland, S., Schuetz, P., & Greenall, M. J. (2011). Controlling the self-assembly of binary copolymer mixtures in solution through molecular architecture. Macromolecules, 44(13), 5510-5519. https://doi.org/10.1021/ma2008546

We present a combined experimental and theoretical study on the role of copolymer architecture in the self-assembly of binary PEO-PCL mixtures in water-THF and show that altering the chain geometry and composition of the copolymers can control the fo... Read More about Controlling the self-assembly of binary copolymer mixtures in solution through molecular architecture.

Vibrationally assisted polariton-relaxation processes in strongly coupled organic-semiconductor microcavities (2011)
Journal Article
Coles, D. M., Michetti, P., Clark, C., Tsoi, W. C., Adawi, A. M., Kim, J. S., & Lidzey, D. G. (2011). Vibrationally assisted polariton-relaxation processes in strongly coupled organic-semiconductor microcavities. Advanced Functional Materials, 21(19), 3691-3696. https://doi.org/10.1002/adfm.201100756

If a semiconductor with an electronic transition that approximates a two-level system is placed within an optical cavity, strong coupling can occur between the confined photons and the semiconductor excitons. This coupling can result in the formation... Read More about Vibrationally assisted polariton-relaxation processes in strongly coupled organic-semiconductor microcavities.

Ultrafast polariton relaxation dynamics in an organic semiconductor microcavity (2011)
Journal Article
Virgili, T., Coles, D., Adawi, A. M., Clark, C., Michetti, P., Rajendran, S. K., Brida, D., Polli, D., Cerullo, G., & Lidzey, D. G. (2011). Ultrafast polariton relaxation dynamics in an organic semiconductor microcavity. Physical review B: Condensed matter and materials physics, 83(24), 245309. https://doi.org/10.1103/PhysRevB.83.245309

We study an organic semiconductor microcavity operating in the strong-coupling regime using fs pump-probe spectroscopy. By probing the induced absorption associated with the one-exciton to two-exciton transition, we are able to characterize the time-... Read More about Ultrafast polariton relaxation dynamics in an organic semiconductor microcavity.

Heteronanojunctions with atomic size control using a lab-on-chip electrochemical approach with integrated microfluidics (2011)
Journal Article
Popa, P. L., Dalmas, G., Faramarzi, V., Dayen, J. F., Majjad, H., Kemp, N. T., & Doudin, B. (2011). Heteronanojunctions with atomic size control using a lab-on-chip electrochemical approach with integrated microfluidics. Nanotechnology, 22(21), 215302. https://doi.org/10.1088/0957-4484/22/21/215302

A versatile tool for electrochemical fabrication of heteronanojunctions with nanocontacts made of a few atoms and nanogaps of molecular spacing is presented. By integrating microfluidic circuitry in a lab-on-chip approach, we keep control of the elec... Read More about Heteronanojunctions with atomic size control using a lab-on-chip electrochemical approach with integrated microfluidics.

Two-dimensional colloidal alloys (2011)
Journal Article
Law, A. D., Buzza, D. M. A., & Horozov, T. S. (2011). Two-dimensional colloidal alloys. Physical review letters, 106(12), Article ARTN 128302. https://doi.org/10.1103/physrevlett.106.128302

We study the structure of mixed monolayers of large (3μm diameter) and small (1μm diameter) very hydrophobic silica particles at an octane-water interface as a function of the number fraction of small particles ξ. We find that a rich variety of two-d... Read More about Two-dimensional colloidal alloys.

Magnetoresistance signature of resonant states in electromigrated Ni nanocontacts (2011)
Journal Article
Beaufrand, J. B., Dayen, J. F., Kemp, N. T., Sokolov, A., & Doudin, B. (2011). Magnetoresistance signature of resonant states in electromigrated Ni nanocontacts. Applied physics letters, 98(14), 142504-1 - 142504-3. https://doi.org/10.1063/1.3576939

Fundamental insight is reported into magnetoresistance properties of ballistic-type atomic size Ni nanojunctions obtained at low temperatures. Feedback-controlled electromigration was used to reveal the ballistic nature of the transport and stabilize... Read More about Magnetoresistance signature of resonant states in electromigrated Ni nanocontacts.

Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: application to formaldehyde (2011)
Journal Article
Wong, S. Y. Y., Benoit, D. M., Lewerenz, M., Brown, A., & Roy, P.-N. (2011). Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: application to formaldehyde. The Journal of chemical physics, 134(9), Article 094110. https://doi.org/10.1063/1.3553179

We have demonstrated the use of ab initio molecular dynamics (AIMD) trajectories to compute the vibrational energy levels of molecular systems in the context of the semiclassical initial value representation (SC-IVR). A relatively low level of electr... Read More about Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: application to formaldehyde.

Resolution of pentafluorophenyl 2-phenylpropanoate using combinations of quasi-enantiomeric oxazolidin-2-ones (2011)
Journal Article
Al Shaye, N., Benoit, D. M., Chavda, S., Coulbeck, E., Dingjan, M., Eames, J., & Yohannes, Y. (2011). Resolution of pentafluorophenyl 2-phenylpropanoate using combinations of quasi-enantiomeric oxazolidin-2-ones. Tetrahedron: Asymmetry, 22(4), 413-438. https://doi.org/10.1016/j.tetasy.2011.02.022

The kinetic, mutual and parallel resolution of a series of structurally related active esters derived from 2-phenylpropanoic acid using a combination of quasi-enantiomeric oxazolidin-2-ones is discussed.

Continuously tuneable optical filters from self-assembled block copolymer blends (2011)
Journal Article
Parnell, A. J., Pryke, A., Mykhaylyk, O. O., Howse, J. R., Adawi, A. M., Terrill, N. J., & Fairclough, J. P. A. (2011). Continuously tuneable optical filters from self-assembled block copolymer blends. Soft matter, 7(8), 3721. https://doi.org/10.1039/c0sm01320j

We demonstrate that two symmetric high molecular weight diblock copolymers, of differing molecular weights, can be blended together and subsequently shear aligned to form one photonic structure without macrophase separation. The lameller period depen... Read More about Continuously tuneable optical filters from self-assembled block copolymer blends.

Electronic transport in conducting polymer nanowire array devices (2011)
Journal Article
Kemp, N. T., Newbury, R., Cochrane, J. W., & Dujardin, E. (2011). Electronic transport in conducting polymer nanowire array devices. Nanotechnology, 22(10), Article ARTN 105202. https://doi.org/10.1088/0957-4484/22/10/105202

We report on the temperature dependent conductivity and current-voltage (I-V) properties of novel polyaniline nanowire array devices. Below 60 K, I-V measurements show a transition to non-linear behaviour, leading to the onset at 30 K of a threshold... Read More about Electronic transport in conducting polymer nanowire array devices.

Novel antenna-integrated photodiodes with strained absorbers designed for use as terahertz sources (2011)
Journal Article
Henning, I. D., Adams, M. J., Vaughan, M., Abraham, T., Sun, Y., Dyson, A., Moodie, D. G., Rogers, D. C., Cannard, P. J., Dosanjh, S., Skuse, M., & Firth, R. J. (2011). Novel antenna-integrated photodiodes with strained absorbers designed for use as terahertz sources. IEEE Journal of Selected Topics in Quantum Electronics, 17(1), 202-209. https://doi.org/10.1109/jstqe.2010.2049196

We present experimental results on the performance of antenna-integrated photodiodes intended for use as photomixers to provide a tunable broadband source of terahertz (THz) radiation. In a balanced strain-absorber structure, we show that the introdu... Read More about Novel antenna-integrated photodiodes with strained absorbers designed for use as terahertz sources.

Ordered materials for organic electronics and photonics (2010)
Journal Article
O’Neill, M., & Kelly, S. M. (2011). Ordered materials for organic electronics and photonics. Advanced materials, 23(5), 566-584. https://doi.org/10.1002/adma.201002884

We present a critical review of semiconducting/light emitting, liquid crystalline materials and their use in electronic and photonic devices such as transistors, photovoltaics, OLEDs and lasers. We report that annealing from the mesophase improves th... Read More about Ordered materials for organic electronics and photonics.

Controlling the micellar morphology of binary PEO-PCL block copolymers in water-THF through controlled blending (2010)
Journal Article
Schuetz, P., Greenall, M. J., Bent, J., Furzeland, S., Atkins, D., Butler, M. F., McLeish, T. C. B., & Buzza, D. M. A. (2011). Controlling the micellar morphology of binary PEO-PCL block copolymers in water-THF through controlled blending. Soft matter, 7(2), 749-759. https://doi.org/10.1039/c0sm00938e

We study both experimentally and theoretically the self-assembly of binary polycaprolactone-polyethylene oxide (PCL-PEO) block copolymers in dilute solution, where self-assembly is triggered by changing the solvent from the common good solvent THF to... Read More about Controlling the micellar morphology of binary PEO-PCL block copolymers in water-THF through controlled blending.

Vibrations of a single adsorbed organic molecule: anharmonicity matters! (2010)
Journal Article
Ulusoy, I. S., Scribano, Y., Benoit, D. M., Tschetschetkin, A., Maurer, N., Koslowski, B., & Ziemann, P. (2011). Vibrations of a single adsorbed organic molecule: anharmonicity matters!. Physical chemistry chemical physics : PCCP, 13(2), 612-618. https://doi.org/10.1039/c0cp01289k

Vibrational spectroscopy is a powerful tool to identify molecules and to characterise their chemical state. Inelastic electron tunnelling spectroscopy (IETS) combined with scanning tunnelling microscopy (STM) allows the application of vibrational ana... Read More about Vibrations of a single adsorbed organic molecule: anharmonicity matters!.

Carbazole nematic liquid crystals (2010)
Journal Article
Bao, W., Billa, M. R., Kassireddy, K., Haro, M., Kelly, M. J., Kitney, S. P., Al Kalifah, M. S., Wei, P., Dong, D., O'Neill, M., & Kelly, S. M. (2010). Carbazole nematic liquid crystals. Liquid crystals, 37(10), 1289-1303. https://doi.org/10.1080/02678292.2010.504862

A number of calamitic 2,7-diary-N-alkyl-substituted carbazoles with an enantiotropic nematic phase have been prepared. Branching of the aliphatic chain attached to the nitrogen atom in the carbazole ring leads to significantly lower liquid crystal tr... Read More about Carbazole nematic liquid crystals.

A one-dimensional photonic-crystal nanocavity incorporating a fluorescent molecular dye (2010)
Journal Article
Murshidy, M. M., Adawi, A. M., Fry, P. W., & Lidzey, D. G. (2010). A one-dimensional photonic-crystal nanocavity incorporating a fluorescent molecular dye. Applied physics letters, 97(15), 153303. https://doi.org/10.1063/1.3497647

We model the optical properties of a SiN based one-dimensional waveguide photonic crystal nanocavity with three tapered air holes as a function of the photonic crystal mirror fill factor using finite difference time domain calculations. We show that... Read More about A one-dimensional photonic-crystal nanocavity incorporating a fluorescent molecular dye.