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Faraday Discussions

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https://www.readbyqxmd.com/read/29028066/complex-molecular-surfaces-and-interfaces-concluding-remarks
#1
David B Amabilino, Steven L Tait
This paper is derived from our concluding remarks presentation and the ensuing conversations at the Faraday Discussions meeting on Complex Molecular Surfaces and Interfaces, Sheffield, UK, 24th-26th July 2017. This meeting was comprised of sessions on understanding the interaction of molecules with surfaces and their subsequent organisation, reactivity or properties from both experimental and theoretical perspectives. This paper attempts to put these presentations in the wider context and focuses on topics that were debated during the meeting and where we feel that opportunities lie for the future development of this interdisciplinary research area...
October 13, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28967938/first-demonstration-of-surface-enhanced-stimulated-raman-spectroscopy-se-srs-using-low-power-cw-sources
#2
C L D Lee, K C Hewitt
Using commercially available nanoparticles, continuous wave Surface-Enhanced Stimulated Raman spectroscopy (CW SE-SRS) is demonstrated for the first time using two Ti:Sapphire lasers producing a pump beam (785 nm, 100 mW) and appropriately varying probe/Stokes beams (860-870 nm, 120 mW). The Ti-Sapphire lasers are co-pumped by a 10 W low noise 532 nm Spectra Physics Millennia laser. Pulsed SE-SRS is also demonstrated using a Coherent Chameleon Ultra laser for the Stokes/probe (863-871 nm) beam and a Coherent Ultra II as the pump laser (785 nm)...
October 2, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28960018/the-halogen-bond-in-solution-general-discussion
#3
Christer B Aakeröy, Paul D Beer, Ngong Kodiah Beyeh, Lee Brammer, Mathieu Branca, David L Bryce, Janet E Del Bene, Alison J Edwards, Mate Erdelyi, Catharine Esterhuysen, Marc Fourmigué, Pierre Kennepohl, Lucia Myongwon Lee, Marta E G Mosquera, Jane S Murray, Chantal L Mustoe, William T Pennington, Peter Politzer, Kevin E Riley, Sergiy V Rosokha, Steve Scheiner, Mark S Taylor, Seiji Tsuzuki, Ignacio Vargas-Baca, Yijue Xu
No abstract text is available yet for this article.
September 29, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28960014/computational-approaches-and-sigma-hole-interactions-general-discussion
#4
Christer B Aakeröy, Saman Alavi, Lee Brammer, David L Bryce, Timothy Clark, Janet E Del Bene, Alison J Edwards, Catharine Esterhuysen, Tayur N Guru Row, Pierre Kennepohl, Anthony C Legon, Gareth O Lloyd, Jane S Murray, William T Pennington, Peter Politzer, Kevin E Riley, Sergiy V Rosokha, Steve Scheiner, Seiji Tsuzuki, Ignacio Vargas-Baca
No abstract text is available yet for this article.
September 29, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28960003/molecular-scale-structure-and-dynamics-at-an-ionic-liquid-electrode-interface
#5
Peter Reichert, Kasper Skov Kjær, Tim Brandt van Driel, Julian Mars, Jannis Walther Ochsmann, Diego Pontoni, Moshe Deutsch, Martin Meedom Nielsen, Markus Mezger
After a century of research, the potential-dependent ion distribution at electrode/electrolyte interfaces is still under debate. In particular for solvent-free electrolytes such as room-temperature ionic liquids, classical theories for the electrical double layer are not applicable. Using a combination of in situ high-energy X-ray reflectivity and impedance spectroscopy measurements, we determined this distribution with sub-molecular resolution. We find oscillatory charge density profiles consisting of alternating anion- and cation-enriched layers at both cathodic and anodic potentials...
September 29, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28960000/time-resolved-sers-study-of-the-oxygen-reduction-reaction-in-ionic-liquid-electrolytes-for-non-aqueous-lithium-oxygen-cells
#6
Petar M Radjenovic, Laurence J Hardwick
Superoxide (O2˙(-)) is the key intermediate formed during oxygen reduction in non-aqueous electrolytes. One significant obstacle towards the realisation of a practical lithium-oxygen (Li-O2) battery is electrolyte instability in the presence of radical oxides, principally superoxide. Here we use the Raman active bands of O2˙(-) as a diagnostic molecule for probing the influence of the electrolyte on reaction processes and intermediaries at the electrode surface. In situ surface enhanced Raman studies of the interface at a roughened Au electrode with controlled and dynamic surface potentials were performed in two ionic liquids with differing properties: 1-butyl-1-methyl-azepenium bis(trifluoromethanesulfonyl)imide (Aze14TFSI), which has a large/soft cation, and triethylsulfonium bis(trifluoromethanesulfonyl)imide (TESTFSI), which has a relatively small/hard and e(-) accepting cation...
September 29, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28956588/design-principles-from-multiscale-simulations-to-predict-nanostructure-in-self-assembling-ionic-liquids
#7
Benjamin T Nebgen, Harsha D Magurudeniya, Kevin W C Kwock, Bryan S Ringstrand, Towfiq Ahmed, Sönke Seifert, Jian-Xin Zhu, Sergei Tretiak, Millicent A Firestone
Molecular dynamics simulations (up to the nanoscale) were performed on the 3-methyl-1-pentylimidazolium ionic liquid cation paired with three anions; chloride, nitrate, and thiocyanate as aqueous mixtures, using the effective fragment potential (EFP) method, a computationally inexpensive way of modeling intermolecular interactions. The simulations provided insight (preferred geometries, radial distribution functions and theoretical proton NMR resonances) into the interactions within the ionic domain and are validated against (1)H NMR spectroscopy and small- and wide-angle X-ray scattering experiments on 1-decyl-3-methylimidazolium...
September 28, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28956586/imaging-out-of-plane-polarized-emission-patterns-on-gap-mode-sers-substrates-from-high-molecular-coverage-to-the-single-molecule-regime
#8
P B Joshi, T P Anthony, A J Wilson, K A Willets
Gap mode surface-enhanced Raman scattering (SERS) substrates are created when a single nanoparticle is deposited on a thin metal film, creating a region of significant electromagnetic field enhancement in the gap between the nanoparticle and the film due to excitation of a vertically-oriented, out-of-plane dipole plasmon mode, e.g. the gap plasmon. When molecules are located in the gap and couple to the gap plasmon mode, the resulting emission is polarized perpendicular to the thin film, generating SERS emission patterns that have a characteristic donut shape...
September 28, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28948252/exploring-the-bulk-phase-structure-of-ionic-liquid-mixtures-using-small-angle-neutron-scattering
#9
Christopher P Cabry, Lucía D'Andrea, Karina Shimizu, Isabelle Grillo, Peixun Li, Sarah Rogers, Duncan W Bruce, José N Canongia Lopes, John M Slattery
Small-angle neutron scattering experiments, supported by molecular dynamics simulations, have been performed on a range of compositions of the [C2mim]1-x[C12mim]x[Tf2N] ionic liquid mixture system. Isotopic contrast variation, through selective deuteration of both cations, has been used to assist in fitting the data to different scattering models. These data, and subsequent fitting, show that the structure of the ionic liquid mixtures changes substantially as a function of composition. Mixtures where x < 0...
September 26, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28945260/how-ionic-species-structure-influences-phase-structure-and-transitions-from-protic-ionic-liquids-to-liquid-crystals-to-crystals
#10
Tamar L Greaves, Hayden Broomhall, Asoka Weerawardena, Dale A Osborne, Bastien A Canonge, Calum J Drummond
The phase behaviour of n-alkylammonium (C6 to C16) nitrates and formates has been characterised using synchrotron small angle and wide angle X-ray scattering (SAXS/WAXS), differential scanning calorimetry (DSC), cross polarised optical microscopy (CPOM) and Fourier transform infrared spectroscopy (FTIR). The protic salts may exist as crystalline, liquid crystalline or ionic liquid materials depending on the alkyl chain length and temperature. n-Alkylammonium nitrates with n ≥ 6 form thermotropic liquid crystalline (LC) lamellar phases, whereas n ≥ 8 was required for the formate series to form this LC phase...
September 25, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28944811/determining-the-composition-of-the-vacuum-liquid-interface-in-ionic-liquid-mixtures
#11
E J Smoll, M A Tesa-Serrate, S M Purcell, L D'Andrea, D W Bruce, J M Slattery, M L Costen, T K Minton, K G McKendrick
The vacuum-liquid interfaces of a number of ionic-liquid mixtures have been investigated using the combination of reactive-atom scattering with laser-induced fluorescence detection (RAS-LIF), selected surface tension measurements, and molecular dynamics (MD) simulations. The mixtures are based on the widespread 1-alkyl-3-methylimidazolium ([Cnmim](+)) cation, including mixed cations which differ in chain length or chemical functionality with a common anion; and different anions for a common cation. RAS-LIF results imply that the surface compositions exhibit a general form of non-stoichiometric behaviour that mimics the well-known Henry's and Raoult's laws at low and high mole fraction, respectively...
September 25, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28936510/low-temperature-and-high-pressure-phases-of-a-room-temperature-ionic-liquid-and-polyiodides-1-methyl-3-propylimidazolium-iodide
#12
Hiroshi Abe, Hiroaki Kishimura, Mayumi Takaku, Mai Watanabe, Nozomu Hamaya
Using simultaneous small-angle X-ray scattering (SAXS) combined with differential scanning calorimetry (DSC) and wide-angle X-ray scattering (WAXS) combined with DSC measurements, low-temperature (LT) solid phases of a room-temperature ionic liquid (RTIL) and its mixtures were examined at ambient pressure. The considered RTIL was 1-methyl-3-propylimidazolium iodide ([C3mim][I]), and the mixtures could be expressed as [C3mim][Im]. Under high-pressure (HP), the crystallization of pure [C3mim][I] was suppressed, as a LT-amorphous form of pure [C3mim][I] was formed...
September 22, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28936506/anomalous-electroless-deposition-of-less-noble-metals-on-cu-in-ionic-liquids-and-its-application-towards-battery-electrodes
#13
Abhishek Lahiri, Natalia Borisenko, Mark Olschewski, Giridhar Pulletikurthi, Frank Endres
Electroless deposition can be triggered by the difference in the redox potentials between two metals in an electrolyte. In aqueous electrochemistry, galvanic displacement takes place according to the electrochemical series wherein a more noble metal can displace a less noble metal. Herein we show anomalous behaviour in ionic liquids wherein less noble metals such as Fe and Sb were deposited on Cu at temperatures from 25 to 60 °C. Fe formed spherical structures whereas Cu2Sb/Sb formed nanoplates. A multistep process during the electroless deposition of Sb on Cu took place which was discerned from in situ XPS, and mass spectrometry...
September 22, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28936499/low-cost-ionic-liquid-water-mixtures-for-effective-extraction-of-carbohydrate-and-lipid-from-algae
#14
Trang Q To, Kerryn Procter, Blake A Simmons, Suresh Subashchandrabose, Rob Atkin
Biomass based biofuels are already an important energy source, and will increasingly be so in the future as the need for renewable energy rises. Due to their fast multiplication rates, algae can provide a sustainable supply of biomass, and are attractive because they do not compete with food crops for habitat. Here we show that biomass derived from Chlorella vulgaris and Spirulina platensis can be pretreated with low cost choline amino acid based ionic liquids to effectively yield lipids (30.6% and 51% total lipids) and sugars (71% and 26% total sugars)...
September 22, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28936498/biredox-ionic-liquids-new-opportunities-toward-high-performance-supercapacitors
#15
C Bodin, E Mourad, D Zigah, S Le Vot, S A Freunberger, F Favier, O Fontaine
Nowadays commercial supercapacitors are based on purely capacitive storage at the porous carbons that are used for the electrodes. However, the limits that capacitive storage imposes on energy density calls to investigate new materials to improve the capacitance of the device. This new type of electrodes (e.g., RuO2, MnO2…) involves pseudo-capacitive faradaic redox processes with the solid material. Ion exchange with solid materials is, however, much slower than the adsorption process in capacitive storage and inevitably leads to significant loss of power...
September 22, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28936497/the-au-111-il-interfacial-nanostructure-in-the-presence-of-precursors-and-its-influence-on-the-electrodeposition-process
#16
Natalia Borisenko, Abhishek Lahiri, Giridhar Pulletikurthi, Tong Cui, Timo Carstens, Janine Zahlbach, Rob Atkin, Frank Endres
Ionic liquids have attracted significant interest as electrolytes for the electrodeposition of metals and semiconductors, but the details of the deposition processes are not yet well understood. In this paper, we give an overview of how the addition of various precursors (TaF5, SiCl4, and GaCl3) affects the solid/IL interfacial structure. In situ Atomic Force Microscopy (AFM) and vibrational spectroscopy have been employed to study the changes of the Au(111)/IL interface and in the electrolytes, respectively...
September 22, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28933496/amphoteric-water-as-acid-and-base-for-protic-ionic-liquids-and-their-electrochemical-activity-when-used-as-fuel-cell-electrolytes
#17
Muhammed Shah Miran, Tomohiro Yasuda, Ryoichi Tatara, Md Abu Bin Hasan Susan, Masayoshi Watanabe
Amphoteric water was mixed with equimolar amounts of a super-strong acid, trifluoromethanesulfonic acid (TfOH), and a super-strong base, 1,8-diazabicyclo[5.4.0]-7-undecene (DBU). Bulk physicochemical and electrochemical properties of the mixtures were compared with those of the best ever reported protic ionic liquid (PIL), diethylmethylammonium trifluoromethanesulfonate ([dema][TfO]), which has excellent physicochemical properties as a fuel cell electrolyte. The acidic mixture ([H3O][TfO]) behaved as a protic ionic liquid, while the basic mixture ([DBU]OH) showed incomplete proton transfer...
September 21, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28933495/interfacial-structure-and-structural-forces-in-mixtures-of-ionic-liquid-with-a-polar-solvent
#18
Samuel W Coles, Alexander M Smith, Maxim V Fedorov, Florian Hausen, Susan Perkin
Many applications of ionic liquids involve their mixtures with neutral molecular solvents. The chemical physics of these high-concentration electrolytes, in particular at interfaces, still holds many challenges. In this contribution we begin to unravel the relationship between measurements of structural ('solvation') forces in mixtures of ionic liquid with polar solvent and the corresponding structure determined by molecular dynamics simulations of the same mixtures. In order to make the quantitative link between experiments with mica surfaces and simulations with fixed-charge surfaces, we present an experimental procedure for determining the effective surface charge on mica in ionic liquid...
September 21, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28933483/selective-separation-of-furfural-and-hydroxymethylfurfural-from-an-aqueous-solution-using-a-supported-hydrophobic-deep-eutectic-solvent-liquid-membrane
#19
Carin H J T Dietz, Maaike C Kroon, Michela Di Stefano, Martin van Sint Annaland, Fausto Gallucci
For the first time, 12 different supported deep eutectic solvent (DES) liquid membranes were prepared and characterized. These membranes consist of a polymeric support impregnated with a hydrophobic DES. First, the different membranes were characterized and their stability in water and air was determined. Subsequently, the supported DES liquid membranes were applied for the recovery of furfural (FF) and hydroxymethylfurfural (HMF) from aqueous solutions. The effects of substrate properties (e.g. pore size), DES properties (e...
September 21, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28933482/structure-and-lifetimes-in-ionic-liquids-and-their-mixtures
#20
Sascha Gehrke, Michael von Domaros, Ryan Clark, Oldamur Hollóczki, Martin Brehm, Tom Welton, Alenka Luzar, Barbara Kirchner
With the aid of molecular dynamics simulations, we study the structure and dynamics of different ionic liquid systems, with focus on hydrogen bond, ion pair and ion cage formation. To do so, we report radial distribution functions, their number integrals, and various time-correlation functions, from which we extract well-defined lifetimes by means of the reactive flux formalism. We explore the influence of polarizable force fields vs. non-polarizable ones with downscaled charges (±0.8) for the example of 1-butyl-3-methylimidazolium bromide...
September 21, 2017: Faraday Discussions
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