@article {2344, title = {Tuning Gold Nanoparticle Self-Assembly for Optimum Coherent Anti-Stokes Raman Scattering and Second Harmonic Generation Response}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {9}, year = {2009}, note = {ISI Document Delivery No.: 412ODTimes Cited: 3Cited Reference Count: 66Addison, Christopher J. Konorov, Stanislav O. Brolo, Alexandre G. Blades, Michael W. Turner, Robin F. B.}, month = {Mar}, pages = {3586-3592}, type = {Article}, abstract = {The research and development of new substrates for use in surface-enhanced spectroscopy is primarily motivated by the ability to tune such substrates to provide maximum signal enhancement and therefore lower detection limits. We examined a series of multilayer nanoparticle (NP) arrays with between 1 and 17 NP layers using two nonlinear optical (NLO) techniques: Coherent anti-Stokes Raman scattering (CARS) and second harmonic generation (SHG). The CARS signal of oxazine 720 was monitored at 1600 cm(-1) using a 709-nm pump beam and an 800-nm stokes beam. Maximum signal was observed for 11 NP layers and is attributed to the matching of the CARS signal and the substrate surface plasmon excitation at 637 nm. The CARS signal for the 3000-cm(-1) C-H stretching vibration showed maximum enhancement at 13 NP layers. The maximum SHG signal enhancement occurred at 13 NP layers, with a 50-fold overall enhancement of the SHG signal. We demonstrate that the NP-containing substrates can be tuned to provide maximum NLO response based on the number of NP depositions and the wavelength(s) involved in the NLO experiments. These multilayer NP arrays yield a stable and modular spectroscopic substrate advantageous for a variety of surface-enhanced spectroscopic techniques.}, keywords = {ABSORPTION, ARRAYS, AU-COLLOID, BROKEN SYMMETRY, ENHANCEMENT, FILMS, HARMONIC-GENERATION, MONOLAYERS, NONLINEAR-OPTICAL RESPONSES, SPECTROSCOPY, SURFACE-PLASMON RESONANCE}, isbn = {1932-7447}, url = {://000263733200034}, author = {Addison, C. J. and Konorov, S. O. and Brolo, A. G. and Blades, M. W. and Turner, R. F. B.} } @article {2344, title = {Tuning Gold Nanoparticle Self-Assembly for Optimum Coherent Anti-Stokes Raman Scattering and Second Harmonic Generation Response}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {9}, year = {2009}, note = {ISI Document Delivery No.: 412ODTimes Cited: 3Cited Reference Count: 66Addison, Christopher J. Konorov, Stanislav O. Brolo, Alexandre G. Blades, Michael W. Turner, Robin F. B.}, month = {Mar}, pages = {3586-3592}, type = {Article}, abstract = {The research and development of new substrates for use in surface-enhanced spectroscopy is primarily motivated by the ability to tune such substrates to provide maximum signal enhancement and therefore lower detection limits. We examined a series of multilayer nanoparticle (NP) arrays with between 1 and 17 NP layers using two nonlinear optical (NLO) techniques: Coherent anti-Stokes Raman scattering (CARS) and second harmonic generation (SHG). The CARS signal of oxazine 720 was monitored at 1600 cm(-1) using a 709-nm pump beam and an 800-nm stokes beam. Maximum signal was observed for 11 NP layers and is attributed to the matching of the CARS signal and the substrate surface plasmon excitation at 637 nm. The CARS signal for the 3000-cm(-1) C-H stretching vibration showed maximum enhancement at 13 NP layers. The maximum SHG signal enhancement occurred at 13 NP layers, with a 50-fold overall enhancement of the SHG signal. We demonstrate that the NP-containing substrates can be tuned to provide maximum NLO response based on the number of NP depositions and the wavelength(s) involved in the NLO experiments. These multilayer NP arrays yield a stable and modular spectroscopic substrate advantageous for a variety of surface-enhanced spectroscopic techniques.}, keywords = {ABSORPTION, ARRAYS, AU-COLLOID, BROKEN SYMMETRY, ENHANCEMENT, FILMS, HARMONIC-GENERATION, MONOLAYERS, NONLINEAR-OPTICAL RESPONSES, SPECTROSCOPY, SURFACE-PLASMON RESONANCE}, isbn = {1932-7447}, url = {://000263733200034}, author = {Addison, C. J. and Konorov, S. O. and Brolo, A. G. and Blades, M. W. and Turner, R. F. B.} } @article {2048, title = {Reactive uptake of N2O5 on aqueous H2SO4 solutions coated with 1-component and 2-component monolayers}, journal = {Journal of Physical Chemistry A}, volume = {112}, number = {20}, year = {2008}, note = {ISI Document Delivery No.: 301OHTimes Cited: 16Cited Reference Count: 90Cosman, L. M. Bertram, A. K.}, month = {May}, pages = {4625-4635}, type = {Article}, abstract = {Reactive uptake of N2O5 on aqueous sulfuric acid solutions was studied in the presence of 1-component (octadecanol) and 2-component (octadecanol + phytanic acid) monolayers. In the 1-component monolayer experiments, the reactive uptake coefficient depended strongly on the molecular surface area of the surfactant. Also, the 1-component monolayer showed significant resistance to mass transfer even when the fractional surface coverage of the surfactant was less than 1. For example, a monolayer of I-octadecanol with a fractional surface coverage of 0.75 decreased the reactive uptake coefficient by a factor of 10. This is consistent with previous studies. In the 2-component monolayer experiments, the reactive uptake coefficient depended strongly on the composition of the monolayer. When the monolayer contained only straight-chain molecules (1-octadecanol), the reactive uptake coefficient decreased by a factor of 42 due to the presence of the monolayer. However, when the monolayer contained 0.20 mole fraction of a branched surfactant (phytanic acid) the reactive uptake coefficient only decreased by a factor of 2. Hence, a small amount of branched surfactant drastically changes the overall resistance to reactive uptake. Also, our results show that the overall resistance to reactive uptake of 2-component monolayers can be predicted reasonably accurately by a model that assumes the resistances to mass transfer can be combined in parallel.}, keywords = {AIR-WATER-INTERFACE, ATMOSPHERIC AEROSOL, EVAPORATION RESISTANCES, FILMS, HETEROGENEOUS HYDROLYSIS, MIXED MONOLAYERS, ORGANIC, REACTION PROBABILITIES, SEA-SALT, SULFURIC-ACID PARTICLES, TRANSPORT PROPERTIES}, isbn = {1089-5639}, url = {://000255905000015}, author = {Cosman, L. M. and Bertram, A. K.} } @article {1439, title = {Does atmospheric processing of saturated hydrocarbon surfaces by NO3 lead to volatilization?}, journal = {Geophysical Research Letters}, volume = {33}, number = {17}, year = {2006}, note = {ISI Document Delivery No.: 085ZJTimes Cited: 23Cited Reference Count: 28Knopf, D. A. Mak, J. Gross, S. Bertram, A. K.}, month = {Sep}, pages = {5}, type = {Article}, abstract = {The heterogeneous oxidation of a saturated hydrocarbon monolayer by NO3 was studied. A flow tube reactor coupled to chemical ionization mass spectrometry was used to determine the reactive uptake coefficient of NO3 on these surfaces, and X-ray photoelectron spectroscopy (XPS) was used to investigate surface oxidation and to determine if exposure to NO3 leads to volatilization of the organic substrate. The uptake coefficient of NO3 by an alkane monolayer is about (8.8 +/- 2.5) x 10(-4), which may lead to competitive oxidation compared with OH, due to the higher atmospheric abundance of NO3 under certain conditions. The XPS results are consistent with the formation of 1) C-O groups, 2) ketones or aldehydes, and 3) carboxylic groups. The XPS results also suggest that NO3 does not rapidly volatilize the organic surface: even under extremely polluted conditions, maximum 10\% of the organic layer is volatilized.}, keywords = {FILMS, GAS-PHASE PRODUCTS, HETEROGENEOUS REACTION, KINETICS, LIQUID, OLEIC-ACID, ORGANIC AEROSOLS, ozone, PARTICLES, REACTIVE UPTAKE}, isbn = {0094-8276}, url = {://000240642600004}, author = {Knopf, D. A. and Mak, J. and Gross, S. and Bertram, A. K.} } @article {1326, title = {The effect of pH and role of Ni2+ in zinc phosphating of 2024-Al alloy. Part I: Macroscopic studies with XPS and SEM}, journal = {Applied Surface Science}, volume = {253}, number = {2}, year = {2006}, note = {ISI Document Delivery No.: 114DVTimes Cited: 10Cited Reference Count: 30Akhtar, A. S. Wong, K. C. Mitchell, K. A. R.}, month = {Nov}, pages = {493-501}, type = {Article}, abstract = {Coatings formed on 2024-T3 aluminum alloy were studied by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) after dipping in zinc phosphating (ZPO) baths at different acidities, for different lengths of time, and with or without Ni2+ additive. The overall objective was to learn more about the role of Ni2+ on the ZPO coating mechanism, particularly since this additive is believed to improve corrosion protection for the Al alloy. Secondary phosphates dominate the coatings when the Ni-containing solution is adjusted to starting pH values of either 3 or 5, while tertiary phosphate is predominant at pH 4. AlF3 precipitates during the early stages of the coating process. Ni2+ has two main roles in the mechanism. First, the rate of increase in local solution pH is retarded by the slower kinetics of reactions involving Ni2+ compared to Zn2+,leading to thinner ZPO coatings when Ni2+ is present in the coating solution. Second, most Ni2+ deposition occurs during the later stages of the coating process, by nickel phosphate deposition and/or by formation of a Ni-rich oxide. (c) 2006 Elsevier B.V. All rights reserved.}, keywords = {ALKALINE STABILITY, aluminum alloy, ALUMINUM-ALLOY, CATALYSTS, COATINGS, CONVERSION COATINGS, FILMS, Ni2+ additive, NICKEL, OXIDATION, photoelectron spectroscopy, scanning electron microscopy, SPECTROSCOPY, STEEL, zinc phosphate}, isbn = {0169-4332}, url = {://000242647800017}, author = {Akhtar, A. S. and Wong, K. C. and Mitchell, K. A. R.} } @article {1412, title = {Nanoscopic liquid bridges between chemically patterned atomistic walls}, journal = {Journal of Physical Chemistry B}, volume = {110}, number = {8}, year = {2006}, note = {ISI Document Delivery No.: 020WQTimes Cited: 6Cited Reference Count: 38}, month = {Mar}, pages = {3764-3772}, type = {Article}, abstract = {A binary liquid mixture, containing the Lennard-Jones molecules A and B, in equilibrium with a bulk liquid reservoir near the point of phase separation, confined between atomistic chemically patterned walls, is studied by grand canonical Monte Carlo simulations. In the bulk, the B-rich phase is stable and the A-rich phase is metastable. The walls bear patches attractive to A; when the walls are close, A-rich liquid bridges condense between the patches. The normal and lateral forces on the walls are measured as a function of the wall separation and of the lateral displacement between the patches on opposite walls. When there are one or two molecular layers in the bridge and the wall lattice constant is close to that of crystalline A, the normal and lateral forces depend strongly on the registry of the wall lattices, varying in an oscillatory manner.}, keywords = {BEHAVIOR, capillary, CONDENSATION, FILMS, FLUIDS, FORCES, INDUCED PHASE-TRANSITIONS, MOLECULARLY THIN-LAYERS, PORES, SHEAR, STRUCTURED WALLS}, isbn = {1520-6106}, url = {://000235944300039}, author = {Hemming, C. J. and Patey, G. N.} } @article {793, title = {The effect of Ni2+ on zinc phosphating of 2024-T3 Al alloy}, journal = {Surface \& Coatings Technology}, volume = {187}, number = {2-3}, year = {2004}, note = {ISI Document Delivery No.: 860VHTimes Cited: 27Cited Reference Count: 32}, month = {Oct}, pages = {208-215}, type = {Article}, abstract = {Zinc phosphate (ZPO) conversion coatings formed on 2024-T3 aluminum alloy, and on high-purity aluminum, after dipping in coating baths containing different amounts of Ni2+, have been studied by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) spectroscopy, scanning Auger microscopy (SAM) and electrochemical measurements. Significant variations are observed in coating morphology and in stability against corrosion for the 2024-Al alloy as the amount of Ni2+ in the coating solution increases through the 0-2000 ppm range. By contrast, for high-purity Al, the most marked changes in coating morphology occur only as the Ni2+ concentration reaches 2000 ppm. The presence of additional elements, and especially Cu, in the 2024-Al samples results in an increase in the number of cathodic sites and hence more coating is formed for corresponding conditions. Additionally, the existence of second-phase particles in the 2024-Al sample leads to variations in the coatings at the microstructural level across the surface. These differences include local variations in the amount of Ni2+ in the coatings, as well as the local coverage. (C) 2004 Elsevier B.V. All rights reserved.}, keywords = {aluminum alloy, ALUMINUM-ALLOY, Auger electron spectroscopy, chemical conversion, CHROMATE CONVERSION COATINGS, CORROSION PROTECTION, FILMS, Ni2+ additive, NICKEL, phosphating, photoelectron spectroscopy, STEEL, SURFACE, XPS}, isbn = {0257-8972}, url = {://000224371300011}, author = {Akhtar, A. S. and Susac, D. and Glaze, P. and Wong, K. C. and Wong, P. C. and Mitchell, K. A. R.} } @article {949, title = {Electron binding energies of Si 2p and S 2p for Si- and S-containing substances by DFT calculations using the model molecules}, journal = {Polymer Journal}, volume = {36}, number = {8}, year = {2004}, note = {ISI Document Delivery No.: 860UCTimes Cited: 2Cited Reference Count: 39}, pages = {600-606}, type = {Article}, abstract = {Si 2p and S 2p core-electron binding energies (CEBE)s of Si- and S-containing molecules were calculated by deMon DFT program using Slater{\textquoteright}s transition-state (TS) concept. In the previous works, we could not obtain the calculated values to the experimental ones of third periodic 2p CEBEs for the molecules within the range of averaged absolute deviation (AAD) of 1.0eV, although the values were calculated by the unrestricted generalized transition-state (uGTS) method. Here, we were able to get the reasonable Si 2p and S 2p CEBEs of 11, and 12 gas molecules in the AAD of 0.37 and 0.46 eV, respectively from the CEBE calculations by the unrestricted generalized diffuse ionization (uGDI) method with a modification of screening constants for third periodic elements of the 2p core-hole. Furthermore, we estimated WD (work function and the other energies) values of seven Si- and S-containing polymers [(Si(CH3)(2))(n) (PDMS), (Si(CH3)(2)O)(n), (PDMSO), (Si(C6H5)CH3)(n) (PMPS), (Si(C6H5)CH3O)(n) (PPMSO), ((CH2CH2)S)(n) (PETHS), ((CH2(CH2)(4)CH2)SO2). (PHMS), ((C6H4)S)(n) (PPS)] from the differences between calculated CEBE values for the model molecules and experimental ones on the solid polymers.}, keywords = {APPROXIMATION, CALCULATIONS, CORE, core-electron binding energy, DENSITY-FUNCTIONAL THEORY, DFT, EMISSION-SPECTRA, ESCA, FILMS, FLUORESCENCE, ION IRRADIATION, POLYMER CONVERSION, X-ray photoelectron, X-ray photoelectron spectra}, isbn = {0032-3896}, url = {://000224367800004}, author = {Motozaki, W. and Otsuka, T. and Endo, K. and Chong, D. P.} } @article {883, title = {Shearing of nanoscopic bridges in two-component thin liquid layers between chemically patterned walls}, journal = {Journal of Chemical Physics}, volume = {121}, number = {13}, year = {2004}, note = {ISI Document Delivery No.: 857VETimes Cited: 4Cited Reference Count: 24}, month = {Oct}, pages = {6508-6517}, type = {Article}, abstract = {Bridge phases associated with a phase transition between two liquid phases occur when a two-component liquid mixture is confined between chemically patterned walls. In the bulk the liquid mixture with components A, B undergoes phase separation into an A-rich phase and a B-rich phase. The walls bear stripes attractive to A. In the bridge phase A-rich and B-rich regions alternate. Grand canonical Monte Carlo studies are performed with the alignment between stripes on opposite walls varied. Misalignment of the stripes places the nanoscopic liquid bridges under shear strain. The bridges exert a Hookean restoring force on the walls for small displacements from equilibrium. As the strain increases there are deviations from Hooke{\textquoteright}s law. Eventually there is an abrupt yielding of the bridges. Molecular dynamics simulations show the bridges form or disintegrate on time scales which are fast compared to wall motion and transport of molecules into or from the confined space. Some interesting possible applications of the phenomena are discussed. (C) 2004 American Institute of Physics.}, keywords = {BEHAVIOR, CAPILLARY CONDENSATION, FILMS, FLUID, INDUCED PHASE-TRANSITIONS, MIXTURES, PORES}, isbn = {0021-9606}, url = {://000224146300049}, author = {Hemming, C. J. and Patey, G. N.} } @article {5205, title = {Surface effects in chromate conversion coatings on 2024-T3 aluminum alloy}, journal = {Journal of Materials Science}, volume = {36}, number = {13}, year = {2001}, note = {ISI Document Delivery No.: 443DLTimes Cited: 17Cited Reference Count: 28}, month = {Jul}, pages = {3215-3220}, type = {Article}, abstract = {Chromate conversion coatings formed on samples of 2024-T3 aluminum alloy, which had been given different pre-treatments, were examined by transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and corrosion tests. Two pre-treatments were considered, namely a simple mechanical polish, and polishing followed by an etch in a HF-H2SO4 solution. The latter treatment leads to significant Cu enrichment at the oxide-alloy interface, and this in turn can lead to a deleterious effect on the corrosion protection afforded by a subsequently applied chromate coating. Discussions are given of the behaviour of Cu in the coating formed on the sample that received an acid etch in the pre-treatment. This involves both migration through the coating and a non-uniform redeposition of Cu on to the coating surface. By contrast, the sample that initially was given just the mechanical polish in the pre-treatment does not show a Cu enrichment in the surface region, and the subsequently applied coating appeared stable after a 24 h immersion in a NaCl test solution. (C) 2001 Kluwer Academic Publishers.}, keywords = {COPPER IONS, CU ALLOY, FILMS, GROWTH, MECHANISM, mobility}, isbn = {0022-2461}, url = {://000169325100017}, author = {Sun, X. and Li, R. and Wong, K. C. and Mitchell, K. A. R. and Foster, T.} } @article {5059, title = {Theoretical X-ray photoelectron and emission spectra of Si- and S-containing polymers by density-functional theory calculations using model molecules}, journal = {Journal of Molecular Structure}, volume = {561}, number = {1-3}, year = {2001}, note = {ISI Document Delivery No.: 420KQTimes Cited: 5Cited Reference Count: 29}, month = {Apr}, pages = {17-28}, type = {Article}, abstract = {The X-ray photoelectron and emission spectra (XPS and XES) of Si- and S-containing polymers [(-Si{-CH2-}(3))(n) (PCS), (-Si(CH3)(OH)-O-)(n) (PMHSO), (-Si(C6H5)(OH)-O-)(n) (PTES), (-Si(C6H5)(OH)-O-Si(CH3)(OH)-O-)(n) (PPMHSO), (-C6H4-O-C6H4-SO2-)(n) (PES)] were simulated by the deMon density-functional theory (DFT) calculations using the model molecules. The theoretical valence photoelectron and C K alpha X-ray emission spectra showed good accordance with some experimental ones. The combined analysis of the valence XPS and C and O K alpha XES enables us to divide the observed valence electronic distribution into the individual contributions for p sigma-, p pi- and non-bonding MOs of the polymers. (C) 2001 Elsevier Science B.V. All rights reserved.}, keywords = {APPROXIMATION, C1S SPECTRA, CK alpha XES, DFT calculations, ELECTRONIC STATES, ENERGY, FILMS, FLUORESCENCE, OLIGOMERS, POLYMERS, SPECTROSCOPY, XPS}, isbn = {0022-2860}, url = {://000168004500002}, author = {Endo, K. and Shimada, S. and Ida, T. and Suhara, M. and Kurmaev, E. Z. and Moewes, A. and Chong, D. P.} } @article {5206, title = {XPS study of interfaces in a two-layer light-emitting diode made from PPV and Nafion with ionically exchanged Ru(bpy)(3)(2+)}, journal = {Applied Surface Science}, volume = {174}, number = {1}, year = {2001}, note = {ISI Document Delivery No.: 416RQTimes Cited: 13Cited Reference Count: 39}, month = {Apr}, pages = {43-50}, type = {Article}, abstract = {X-ray photoelectron spectroscopy (XPS) was used to investigate the interfacial chemistries occurring in a prototype two-layer polymer light-emitting diode that had been fabricated from PPV and Nafion with ion-exchanged Ru(bpy)(3)(2 +) Magnesium and indium tin oxide (ITO) were used as electrodes, and XPS observations were made as the different layers were added sequentially. Specifically, Mg was deposited on a layer of Nafion with incorporated Ru(bpy)(3)(2 +), and this was itself deposited on PPV-coated ITO. The morphology of Nafion, which is dictated by the strongly hydrophilic and hydrophobic groups that compose it, is indicated to rearrange with the incorporation of Ru(bpy)(3)(2 +) this rearrangement appears reinforced when a thin film is deposited on PPV. The Mg deposition results in substantial changes in XPS spectra, in part due to a direct interaction with the fluorocarbon backbone of Nation. (C) 2001 Elsevier Science B.V. All rights reserved.}, keywords = {CHEMISTRY, conjugated polymers, COPOLYMERS, ELECTROLUMINESCENCE, FILMS, luminescence, MEMBRANES, NAFION, POLYETHYLENETEREPHTHALATE, polymer light-emitting diodes, RAY PHOTOELECTRON-SPECTROSCOPY, ruthenium polypyridyl complex, SYSTEMS, X-ray photoelectron spectroscopy}, isbn = {0169-4332}, url = {://000167794300006}, author = {Susac, D. and Kono, M. and Wong, K. C. and Mitchell, K. A. R.} } @article {4932, title = {Theoretical X-ray photoelectron and emission spectra of C-, N-, and O-containing polymers by density-functional theory calculations using model molecules}, journal = {Polymer Journal}, volume = {32}, number = {12}, year = {2000}, note = {ISI Document Delivery No.: 402CYTimes Cited: 4Cited Reference Count: 39}, pages = {1030-1037}, type = {Article}, abstract = {The X-Ray photoelectron and emission spectra (XPS, XES) of C-, N-, and O-containing polymers [polyvinyl alcohol (PVA), polyethylene oxide (PEO), and dianhydride-4,4{\textquoteright}-oxydianiline (PMDA-ODA)] were simulated by deMon density-functional theory (DFT) calculations using the model molecules. The theoretical valence photoelectron and C, N, and O K alpha X-Ray emission spectra showed good agreement with some experimental ones. The combined analysis of the valence XPS and C, N, and O K alpha XES enables us to divide the observed valence electronic distribution into the individual contributions for p sigma-, p pi- and non-bonding MOs of the polymers.}, keywords = {ALCOHOL), APPROXIMATION, C1S SPECTRA, ELECTRON BINDING-ENERGIES, electronic state, FILMS, MO METHOD, OLIGOMERS, PEO, PMDA-ODA), POLYIMIDE, polymer (PVA, SPECTROSCOPY, XES and XPS, XPS}, isbn = {0032-3896}, url = {://000166969500006}, author = {Shimada, S. and Ida, T. and Endo, K. and Suhara, M. and Kurmaev, E. Z. and Chong, D. P.} } @article {3954, title = {A characterization of the gamma-glycidoxypropyltrimethoxysilane and aluminium interface by SIMS and XPS}, journal = {Journal of Materials Science Letters}, volume = {16}, number = {20}, year = {1997}, note = {ISI Document Delivery No.: YD607Times Cited: 21Cited Reference Count: 14}, month = {Oct}, pages = {1675-1676}, type = {Article}, keywords = {COUPLING AGENTS, FILMS, ION MASS-SPECTROMETRY, METAL, OXIDE, POLYMER SURFACES, SILANES, STEEL}, isbn = {0261-8028}, url = {://A1997YD60700017}, author = {Fang, J. and Flinn, B. J. and Leung, Y. L. and Wong, P. C. and Mitchell, K. A. R. and Foster, T.} } @article {3915, title = {Density functional calculations of core-electron binding energies of amines. Application to (CH3)(3)N-Ni and (CH3)(4)N+-Ni}, journal = {Chemical Physics Letters}, volume = {264}, number = {1-2}, year = {1997}, note = {ISI Document Delivery No.: WC716Times Cited: 29Cited Reference Count: 20}, month = {Jan}, pages = {186-192}, type = {Article}, abstract = {A procedure for computing accurate core-electron binding energies via density functional theory is applied to ten molecular systems containing amine and ammonium groups. The procedure uses the unrestricted generalized transition-state model. The method is used on model systems in which amine and ammonium groups interact with a hydroxide or chloride ion, as well as with a nickel atom. The results are used to shed some light on the interpretation of some characteristics of the XPS spectra of pre-electrolysed nickel surfaces used in electropolymerization reactions.}, keywords = {ACRYLONITRILE, APPROXIMATION, BASIS-SETS, FILMS, MOLECULES, NICKEL, POTENTIALS, SURFACES}, isbn = {0009-2614}, url = {://A1997WC71600029}, author = {Bureau, C. and Chong, D. P.} } @article {2718, title = {CAVITATION OF A LENNARD-JONES FLUID BETWEEN HARD WALLS, AND THE POSSIBLE RELEVANCE TO THE ATTRACTION MEASURED BETWEEN HYDROPHOBIC SURFACES}, journal = {Journal of Chemical Physics}, volume = {98}, number = {9}, year = {1993}, note = {ISI Document Delivery No.: LA763Times Cited: 106Cited Reference Count: 26}, month = {May}, pages = {7236-7244}, type = {Article}, abstract = {A Lennard-Jones fluid confined between two planar hard walls is simulated using grand canonical Monte Carlo, and capillary evaporation is found for liquid subcritical bulk states. General methods are given for simulating a metastable fluid beyond coexistence. For the systems studied, the liquid and the gas phases coexist in equilibrium at a separation of approximately 5 diam, the spinodal cavitation separation is at approximately 4 diam, and the spinodal condensation separation is at greater-than-or-similar-to 15 diam. The interaction pressure between the walls is found to be attractive and increases rapidly as the spinodal separation is approached. On the equilibrium liquid branch, the net pressure still appears significantly larger than the van der Waals attraction at separations of approximately 10 diam. A simple analytic theory is given, which relates the force to the approach of the separation-induced phase transition. It is suggested that this is the microscopic origin of the measured attractions between hydrophobic surfaces in water.}, keywords = {ADSORPTION, AQUEOUS-ELECTROLYTE SOLUTIONS, FILMS, FORCES, MONTE-CARLO, PHASE-EQUILIBRIA, SLIT}, isbn = {0021-9606}, url = {://A1993LA76300069}, author = {Berard, D. R. and Attard, P. and Patey, G. N.} } @article {2704, title = {CHARACTERIZATION OF SPUTTER DEPOSITED INCONEL CARBON X-RAY MULTILAYERS}, journal = {Journal of Vacuum Science \& Technology a-Vacuum Surfaces and Films}, volume = {11}, number = {1}, year = {1993}, note = {ISI Document Delivery No.: KH557Times Cited: 4Cited Reference Count: 25}, month = {Jan-Feb}, pages = {115-124}, type = {Article}, abstract = {The reflectivity of x-ray multilayers made of new pairs of materials was theoretically calculated at a wavelength of 45 angstrom. Carbon and inconel were then selected for {\textquoteright}{\textquoteright}low index{\textquoteright}{\textquoteright} and {\textquoteright}{\textquoteright}high index{\textquoteright}{\textquoteright} layers, respectively, in the multilayer system. Single layers, bilayers, and multilayers of carbon and inconel were characterized by grazing x-ray reflectometry (GXR), x-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), and spectroscopic ellipsometry (SE). From GXR data at 1.54 angstrom refractive indices and film thicknesses of inconel and carbon layers were obtained. From an analysis of SE data, the dielectric function and the thickness as of inconel and carbon thin films were deduced. XPS and AES measurements revealed the presence of carbides at the interface between carbon and inconel. GXR analysis was performed on ten-layer C/inconel multilayers. The GXR interference pattern was found to broaden after annealing the samples at 600-degrees-C.}, keywords = {CARBIDE, FILMS, OPTICS, SI, STABILITY}, isbn = {0734-2101}, url = {://A1993KH55700015}, author = {Aouadi, M. S. and Parsons, R. R. and Wong, P. C. and Mitchell, K. A. R.} } @article {7326, title = {SURFACE DAMAGE AND DEPOSITION ON GALLIUM-ARSENIDE RESULTING FROM LOW-ENERGY CARBON ION-BOMBARDMENT}, journal = {Surface Science}, volume = {271}, number = {3}, year = {1992}, note = {ISI Document Delivery No.: JA639Times Cited: 3Cited Reference Count: 20}, month = {Jun}, pages = {468-476}, type = {Article}, abstract = {A mass-separated carbon ion beam in the energy range of 20-500 eV was used in ultrahigh vacuum to study the ion-surface interactions that occur in alkane based reactive ion etching of GaAs. The effects of ion bombardment and of subsequent damage-removal treatments were determined by measuring the surface chemistry and band-bending changes with in situ polar-angle-dependent X-ray photoelectron spectroscopy. The study showed that carbon ion bombardment on GaAs even at 20 eV resulted in carbon incorporation and the formation of carbide species. Initially, slight sputtering occurred with a higher sputter yield for arsenic than that for gallium, but further ion exposure led to the formation of an amorphous carbon overlayer. The degree of arsenic depletion and the thickness of the damaged and carbon-contaminated layer increased with the impact energy. The carbon and carbide residues were not removed by annealing at 520-degrees-C. or by exposure to ultraviolet light/ozone. Bombardment with 100 eV hydrogen ions did remove the damage induced by carbon ion bombardment.}, keywords = {FILMS, GaAs, INP}, isbn = {0039-6028}, url = {://A1992JA63900020}, author = {Meharg, P. F. A. and Ogryzlo, E. A. and Bello, I. and Lau, W. M.} }