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RSC - Faraday Discuss. latest articles
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FD173:Oxygen Reduction Reaction in Electrochemically Reduced Graphene Oxide

29 June, 2014 - 02:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00088A, Papersantosh kumar Bikkarolla, Peter Cumson, Paul Joseph, Pagona Papakonstantinou
We show that partially reduced graphene oxide electrocatalyst, synthesized by electrochemical reduction of graphene oxide (GO) displays significantly enhanced catalytic activity towards oxygen reduction reaction (ORR) in alkaline solutions compared...
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FD 174: Characterization and simulation of electrolyte-gated organic field-effect transistors

29 June, 2014 - 02:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00095A, PaperKatharina Melzer, Marcel Brandlein, Bogdan Popescu, Dan Popescu, Paolo Lugli, Giuseppe Scarpa
In this work we fabricate and characterize field-effect transistors based on the solution-processable semiconducting polymer poly (3 hexylthiophene) (P3HT). Applying two independent gate potentials to the electrolyte-gated organic field-effect transistor...
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Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide

29 June, 2014 - 02:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00012A, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.John A. Baker, Jonathan. D. Hirst
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Allosteric pathway identification through network analysis: from molecular dynamics simulations to interactive 2D and 3D graphs

27 June, 2014 - 02:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00024B, PaperAriane Allain, Isaure Chauvot de Beauchene, Florent Langenfeld, Yann Guarracino, Elodie Laine, Luba Tchertanov
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A real-time proximity querying algorithm for haptic-based molecular docking

27 June, 2014 - 02:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00123G, PaperGeorgios Iakovou, Steven Hayward, Stephen Laycock
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FD 174: Computation of Hole Mobilities: Comparison of Single Crystal and Surface Adsorbed Models

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00082J, PaperRose A Krawczuk, Joseph J.W. McDouall, William Mitchell, Steven Tierney
We report hole mobilities obtained computationally based on both single crystal geometries and those obtained from crystal fragments optimised on a model surface. Such computational estimates can differ considerably from...
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FD 174: Breaking the simple proportionality between molecular conductances and charge transfer rates

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00106K, PaperRavindra Venkatramani, Emil Wierzbinski, David H Waldeck, David N Beratan
A theoretical framework is presented to describe and to understand the observed relationship between molecular conductances and charge transfer rates across molecular bridges as a function of length, structure, and...
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FD173: Single-walled carbon nanotube networks in conductive composite materials

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00087K, PaperOana Andreea Barsan, Gunter Hoffmann, Leo van der Ven, G. de With
Electrically conductive composite materials can be used for a wide range of applications because they combine the advantages of a specific polymeric material (e.g., thermal and mechanical properties) with the...
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FD173: Synthesis and First X-ray Structure of a Hexa-peri-hexabenzocoronene-Fullerene-Dyad: A Model for an Inter-Carbon-Allotrope Hybrid

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00069B, PaperAndreas Hirsch, Andreas Josef Kratzer, Dominik Lungerich, Jan Moritz Englert, Frank Heinemann, Norbert Jux
The synthesis of a new hexabenzocoronene(HBC)-fullerene dyad 1 was accomplished involving a covalent linkage between both the planar and the spherical conjugated [small pi]-system of the two chromophors. We also present...
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RiboVision suite for visualization and analysis of ribosomes

25 June, 2014 - 01:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00126A, PaperChad R. Bernier, Anton S. Petrov, Chris C. Waterbury, James Jett, Fengbo Li, Larry E. Freil, Xiao Xiong, Lan Wang, Blacki L. R. Migliozzi, Eli Hershkovits, Yuzhen Xue, Chiaolong Hsiao, Jessica C. Bowman, Stephen C. Harvey, Martha A. Grover, Zachary J. Wartell, Loren Dean Williams
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FD 174: Hybrid organic semiconductor lasers for bio-molecular sensing

23 June, 2014 - 01:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00091A, PaperAnne-Marie Haughey, Caroline Foucher, Benoit Guilhabert, Alexander Kanibolotsky, Peter Skabara, Glenn A Burley, Martin D Dawson, Nicolas Laurand
Bio-functionalised luminescent organic semiconductors are attractive for biophotonics because they can act as efficient laser materials while simultaneously interacting with molecules. In this paper, we present and discuss a laser...
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FD 174: A quantum chemical study from a molecular perspective: ionization and electron attachment energies for species often used to fabricate single-molecule junctions

23 June, 2014 - 01:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00101J, PaperIoan Baldea
The accurate determination of the lowest electron attachment ($EA$) and ionization ($IP$) energies for molecules embedded in molecular junctions is important for correctly estimating, (emph{e.g.}, the magnitude of the currents...
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Studying chemical reactivity in a virtual environment

23 June, 2014 - 01:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00021H, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Moritz P. Haag, Markus Reiher
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Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water

23 June, 2014 - 01:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00125C, PaperChristopher J. Woods, Maturos Malaisree, Julien Michel, Ben Long, Simon McIntosh-Smith, Adrian J. Mulholland
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Udock, the interactive docking entertainment system

19 June, 2014 - 00:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00147D, PaperGuillaume Levieux, Guillaume Tiger, Stephanie Mader, Jean-Francois Zagury, Stephane Natkin, Matthieu Montes
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FD173: Spinning of carbon nanotube fibres using the floating catalyst high temperature route: purity issues and the critical role of sulphur

16 June, 2014 - 23:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00066H, PaperThurid Susanne Gspann, Fiona Ruth Smail, Alan H Windle
The CVD process for the spinning of carbon nanotube (CNT) fibres combines the nucleation, growth and aggregation of CNTs in the form of an aerogel with fibre spinning into a...
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Inkjet printing of graphene

16 June, 2014 - 23:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00067F, PaperKirill Arapov, Robert Abbel, G. de With, Heiner Friedrich
Inkjet printing of graphene is a cost-effective, and versatile deposition technique for both transparent and non-transparent conductive films. Printing graphene on paper is aiming for low-end, high-volume applications, i.e., in...
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FD 174: Measurement and Control of Detailed Electronic Transport Properties of Single Molecule Junctions

16 June, 2014 - 23:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00080C, PaperKun Wang, Joseph M Hamill, Jianfeng Zhou, Cunlan Guo, Bingqian Xu
The lack of detailed experimental controls has been one of the major obstacles that hinder the progress in molecular electronics. While experimental data remains all over the map, specific details,...
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Bio-sorbable, liquid electrolyte gated thin-film transistor based on a solution processed zinc oxide layer

12 June, 2014 - 22:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00081A, PaperLuisa Torsi, Mandeep Singh, Gerardo Palazzo, Giuseppe Romanazzi, Gian Paolo Suranna, Nicoletta Ditaranto, Cinzia Di Franco, Maria Vittoria Santacroce, Mohammad Yusuf Mulla, Maria Magliulo, Kyriaki Manoli
Among the metal oxide semiconductors, ZnO has been widely investigated as a channel in thin film transistors (TFTs) due to its excellent electrical properties, optical transparency and simple fabrication via...
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FD173:Water-soluble fullerene materials for bioapplication

12 June, 2014 - 22:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00076E, PaperYoko Yamakoshi, Safwan Aroua, Thach-Mien Nguyen, Yuko Iwamoto, Tsuyoshi Ohnishi
The photoinduced reactive oxygen species (ROSs) generation from several water-soluble fullerenes was examined. The macromolecular or small molecular water-soluble fullerene complexes/derivatives were prepared and their 1O2 and O2[round bullet, filled]- generation were...
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