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8 results on '"Nanochemistry Research Institute [Perth]"'

1. Boron- and nitrogen-doped multi-wall carbon nanotubes for gas detection

Author

Philipp Wagner, Antal A. Koós, Jean Joseph Adjizian, Alison Crossley, Nicole Grobert, Eduard Llobet, Christopher P. Ewels, R. Leghrib, Irene Suarez-Martinez, Enginyeria Electrònica, Universitat Rovira i Virgili., Institut des Matériaux Jean Rouxel (IMN), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Polytechnique de l'Université de Nantes (EPUN), Université de Nantes (UN)-Université de Nantes (UN), MINOS-EMaS Tarragona, Universitat Rovira i Virgili, Department of Materials, University of Oxford [Oxford], Nanochemistry Research Institute Perth, Curtin University [Perth], and Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC)

Subjects
Nanotube, Materials science, Graphene, chemistry.chemical_element, Nanotechnology, General Chemistry, Carbon nanotube, Nitrogen, law.invention, chemistry.chemical_compound, chemistry, Chemical engineering, Physisorption, law, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science, Nitrogen dioxide, Boron, Carbon monoxide
Abstract

International audience; The response of pristine, nitrogen and boron doped carbon nanotube (CNT) sensors to NO2, CO, C2H4 and H2O at ppm concentrations was investigated at both room temperature and 150 degrees C. N-doped CNTs show the best sensitivity to nitrogen dioxide and carbon monoxide, while B-doped CNTs show the best sensitivity to ethylene. All tubes (including undoped) show strong humidity response. Sensing mechanisms are determined via comparison with density functional calculations of gas molecule absorption onto representative defect structures in N and B-doped graphene. N-CNTs show decreased sensitivity with temperature, and detection appears to occur via gas physisorption. B-CNTs appear to react chemically with many of the absorbed species as shown by their poor baseline recovery and increasing sensitivity with temperature. This limits their cyclability. Overall gas sensitivity is as good or better than post-growth functionalised nanotubes, and used in combination, CNTs, N-CNTs and B-CNTs appear highly promising candidates for cheap, low power, room temperature gas sensing applications. (C) 2013 Elsevier Ltd. All rights reserved.

Published
2016
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2. Electropolishing of medical-grade stainless steel in preparation for surface nano-texturing

Author

Michael Thompson, Damien W. M. Arrigan, Pasquale Benvenuto, Paul Galvin, F. Nazneen, Grégoire Herzog, Tyndall National Institute [Cork], Nanochemistry Research Institute [Perth], Curtin University [Perth], Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC), Department of Chemistry [University of Toronto], and University of Toronto

Subjects
Materials science, 020209 energy, Metallurgy, technology, industry, and agriculture, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, Electrolyte, Surface finish, Chronoamperometry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Contact angle, Electropolishing, X-ray photoelectron spectroscopy, Linear sweep voltammetry, 0202 electrical engineering, electronic engineering, information engineering, Electrochemistry, Surface roughness, General Materials Science, Electrical and Electronic Engineering, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract

The purpose of this work is to investigate the electropolishing of medical-grade 316 L stainless steel to obtain a clean, smooth, and defect-free surface in preparation for surface nano-texturing. Electropolishing of steel was conducted under stationary conditions in four electrolyte mixtures: (A) 4.5 M H2SO4 + 11 M H3PO4, (B) 7.2 M H2SO4 + 6.5 M H3PO4, (C) 6.4 M glycerol + 6.1 M H3PO4, and (D) 6.1 M H3PO4. The influence of electrolyte composition and concentration, temperature, and electropolishing time, in conjunction with linear sweep voltammetry and chronoamperometry, on the stainless steel surface was studied. The resulting surfaces of unpolished and optimally polished stainless steel were characterized in terms of contamination, defects, topography, roughness, hydrophilicity, and chemical composition by optical and atomic force microscopies, contact angle goniometry, and X-ray photoelectron spectroscopy. It was found that the optimally polished surfaces were obtained with the following parameters: electrolyte mixture A at 2.1 V of applied potential at 80 °C for 10 min. This corresponded to the diffusion-limited dissolution of the surface. The root mean square surface roughness of the electropolished surface achieved was 0.4 nm over 2 × 2 μm2. Surface analysis showed that electropolishing led to ultraclean surfaces with reduced roughness and contamination thickness and with Cr, P, S, Mo, Ni, and O enrichment compared to untreated surfaces.

Published
2011
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3. Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study

Author

Guilhem Dezanneau, Clément Gilles, Christopher Knight, Paolo Raiteri, Alistar Ottochian, Julian D. Gale, Laboratoire Structures, Propriétés et Modélisation des solides (SPMS), Institut de Chimie du CNRS (INC)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Nanochemistry Research Institute [Perth], Curtin University [Perth], Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC), Leadership computing faciility, Argonne National Laboratory, and Argonne Laboratory

Subjects
Materials science, Condensed matter physics, Strain (chemistry), Proton, Renewable Energy, Sustainability and the Environment, Diffusion, Isotropy, General Chemistry, Conductivity, Thermal conduction, Molecular dynamics, Condensed Matter::Materials Science, Nuclear magnetic resonance, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science, Symmetry breaking
Abstract

International audience; Strain has been proposed as a potential tool to increase the oxygen ion conduction in oxides. Here we study by means of molecular dynamics simulations the influence of isotropic and biaxial strain on the proton conductivity of yttrium-doped barium zirconate to examine whether a similar influence occurs for hydrogen diffusion. Compressive isotropic pressure is indeed shown to favour proton diffusion by diminishing the oxygen-oxygen distance without affecting the symmetry. For moderate biaxial strain, a similar effect is observed i.e. a slight increase of proton conductivity occurs under compressive strain. High biaxial compressive/negative strain leads to a decrease in proton diffusion by inducing a symmetry breaking that results in a strong localisation of protons away from the B cations. The results are discussed and compared with previous DFT calculations and experimental results.

Published
2014
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4. Simulating Relaxation Channels of CO2in Clathrate Nanocages

Author

Constantin Meis, Julian D. Gale, Pierre-Richard Dahoo, Azzedine Lakhlifi, R. Puig, PLANETO - LATMOS, Laboratoire Atmosphères, Milieux, Observations Spatiales (LATMOS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ), Univers, Transport, Interfaces, Nanostructures, Atmosphère et environnement, Molécules (UMR 6213) (UTINAM), Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS), Institut National des Sciences et Techniques Nucléaires (INSTN), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Nanochemistry Research Institute [Perth], Curtin University [Perth], Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC), CHAIR Materials Simulation and Engineering, Université Versailles Saint-Quentin-en-Yvelines (UVSQ), Université Paris Saclay, Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), and Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)

Subjects
History, 010304 chemical physics, Chemistry, Anharmonicity, Relaxation (NMR), Born–Oppenheimer approximation, Low frequency, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Computer Science Applications, Education, symbols.namesake, Amplitude, Molecular vibration, Harmonics, 0103 physical sciences, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Physics::Atomic and Molecular Clusters, symbols, Atomic physics, Cage
Abstract

5th International Conference on Mathematical Modeling in Physical Sciences (IC-MSquare 2016); International audience; The energy levels of CO2 in the small (s) and large (l) nano-cages of cubic sI clathrates are calculated in the Born-Oppenheimer approximation using pairwise atom-atom interaction potentials. In the s cage, the centre of mass of CO2 oscillates with small amplitudes, asymmetrically about the cage center with harmonic frequencies around 100 cm-1. In the l cage, oscillations are anharmonic with large amplitude motions in a plane parallel to the hexagonal faces of the cage and the corresponding frequencies are calculated to be 55 cm-1 and 30 cm-1. Librational harmonic frequencies are calculated at 101.7 cm-1 and 56.0 cm-1 in the s cage and at 27.9 cm-1 and 46.4 cm-1 in the l cage. Results show that the coupling between the CO2 molecule and the nano-cage is quite different for the low frequency translational, rotational or librational modes and the high frequency vibrational modes, which consequently leads to different relaxation channels.

Published
2016
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5. Electroanalytical behavior of poly-L-lysine dendrigrafts at the interface between two immiscible electrolyte solutions

Author

Colm Johnson, Damien W. M. Arrigan, Grégoire Herzog, Shane Flynn, Tyndall National Institute [Cork], Nanochemistry Research Institute [Perth], Curtin University [Perth], and Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC)

Subjects
Detection limit, Dendrimers, Chemistry, Diffusion, Analytical chemistry, Proteins, 02 engineering and technology, Electrolyte, Electrochemical Techniques, 010402 general chemistry, 021001 nanoscience & nanotechnology, Electrochemistry, 01 natural sciences, 0104 chemical sciences, Analytical Chemistry, Electrolytes, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Limit of Detection, Polylysine, ITIES, Cyclic voltammetry, 0210 nano-technology, Voltammetry, Macromolecule
Abstract

International audience; In this work, the electrochemical behaviour of non-redox-active poly-L-Lysine dendrigraft molecules of four different generations was investigated at the interface between two immiscible electrolyte solutions (ITIES). The influence of the dendrigraft generation on the electrochemical response, sensitivity of the calibration curves and limit of detection was studied. Cyclic voltammetry at the ITIES revealed that the sensitivity increased (1840 nA µM-1 to 25800 nA µM-1) and the limit of detection decreased (11.10 µM to 0.65 µM) as the dendrigraft generation increased from generation G2 through to generation G5, respectively. The results are compared to those for protein voltammetry at the ITIES. Our studies suggest that the sensitivity expected for a synthetic ionized macromolecule can be predicted based on its net charge and its diffusion coefficient. However, electrochemistry at the ITIES demonstrates a greater sensitivity towards proteins, which is attributed to their tertiary structure.

Published
2012
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6. EPJ Web of Conferences, Vol 30: Experiment and Modelling in Structural NMR

Author

Berthault, P., Charpentier, T., Meis, C., Dahoo, Pierre-Richard, Simoni, E., Gale, J., Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Institut National des Sciences et Techniques Nucléaires (INSTN), PLANETO - LATMOS, Laboratoire Atmosphères, Milieux, Observations Spatiales (LATMOS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique Nucléaire d'Orsay (IPNO), Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11), Nanochemistry Research Institute [Perth], Curtin University [Perth], Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), and Cardon, Catherine

Subjects
[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], [PHYS.COND.CM-MS] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]
Abstract

The school covers several topics in the field of structural NMR. In the first part, following an introduction on general principles, the basic knowledge in isotropic and anisotropic media is given. The second part deals with the structural studies of biological systems and materials while the third gives an overview of a some advanced concepts including Hyper-polarization, Fast NMR and Diffusion process.

Published
2012

7. Fundamentals of Thermodynamic Modelling of Materials. EPJ Web of Conferences

Author

Sundman, Bo, Meis, Constantin, Dahoo, Pierre-Richard, Simoni, Eric, Gale, Julian D., Institut National des Sciences et Techniques Nucléaires (INSTN), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Royal Institute of Technology [Stockholm] (KTH ), PLANETO - LATMOS, Laboratoire Atmosphères, Milieux, Observations Spatiales (LATMOS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique Nucléaire d'Orsay (IPNO), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Nanochemistry Research Institute [Perth], Curtin University [Perth], Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC), Cardon, Catherine, and Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11)

Subjects
[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], [PHYS.COND.CM-MS] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]
Published
2011

8. Single-molecule electrical contacts on silicon electrodes under ambient conditions.

Author

Aragonès AC, Darwish N, Ciampi S, Sanz F, Gooding JJ, and Díez-Pérez I

Abstract

The ultimate goal in molecular electronics is to use individual molecules as the active electronic component of a real-world sturdy device. For this concept to become reality, it will require the field of single-molecule electronics to shift towards the semiconducting platform of the current microelectronics industry. Here, we report silicon-based single-molecule contacts that are mechanically and electrically stable under ambient conditions. The single-molecule contacts are prepared on silicon electrodes using the scanning tunnelling microscopy break-junction approach using a top metallic probe. The molecular wires show remarkable current-voltage reproducibility, as compared to an open silicon/nano-gap/metal junction, with current rectification ratios exceeding 4,000 when a low-doped silicon is used. The extension of the single-molecule junction approach to a silicon substrate contributes to the next level of miniaturization of electronic components and it is anticipated it will pave the way to a new class of robust single-molecule circuits.

Published
2017
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