Browsing Department of Chemistry Faculty Publications by Title
Now showing items 8-27 of 87
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Boron: Its role in energy related research and applications
(Wiley, 2019)Boron’s unique position in the periodic table, i.e. at the apex of the line separating metals and nonmetals, makes it highly versatile in chemical reactions and applications. Contemporary demand for renewable and clean ... -
Cavity-Enhanced Photoacoustic Detection Using Acoustic and Fiber-Optic Resonators
(2016-03-02)A wineglass has been used as an acoustic resonator to enhance the photoacoustic signal generated by laser excitation of absorbing dyes in solution. The amplitude of the acoustic signal was recorded using a fiber-optic ... -
Chemical Sensing Using a Polymer Coated Long-Period Fiber Grating Interrogated by Ring-Down Spectroscopy
(2016-03-15)An etched long-period grating was used as a refractive index sensor for vapours of four volatile organic compounds, i.e. m-xylene, cyclohexane, trichloroethylene and commercial gasoline. The sensitivity to the vapours was ... -
Chemical Sensing Using Fiber Cavity Ring-Down Spectroscopy
(2016-03-18)Waveguide-based cavity ring-down spectroscopy (CRD) can be used for quantitative measurements of chemical concentrations in small amounts of liquid, in gases or in films. The change in ring-down time can be correlated to ... -
Chemical Sensor Based on a Long-Period Fibre Grating Modified by a Functionalized Polydimethylsiloxane Coating
(2016-07-05)A chemical sensor based on a coated long-period grating has been prepared and characterized. Designer coatings based on polydimethylsiloxane were prepared by the incorporation of diphenylsiloxane and titanium cross-linker ... -
A Comparison of Methods for Determining the Time Step When Propagating with the Lanczos Algorithm
(2019)To use the short iterative Lanczos algorithm to solve the time-dependent Schroedinger equation, one must choose, for a given Lanczos space size, a time-step. We compare the derivation of the well-known Lubich and Hochbruck ... -
Computational Study of the Ro-Vibrational Spectrum of CO–CO2
(2019)An accurate ab initio ground-state intermolecular potential energy surface (PES) was determined for the CO–CO2 van der Waals dimer. The Lanczos algorithm was used to compute rovibrational energies on this PES. For both the ... -
Computational Study of the Rovibrational Spectra of CH2D+ and CHD2+
(2019)In this paper, we present rovibrational energy levels of CH2D+ and CHD2+. They are computed with a large basis and the Lanczos algorithm. CH2D+ and CHD2+ are believed to play an important role in interstellar space, but ... -
Computing Vibrational Energy Levels of CH4 With a Smolyak Collocation Method
(2017-12-30)In this paper, we demonstrate that it is possible to apply collocation to compute vibrational energy levels of a five-atom molecule using an exact kinetic energy operator (with cross terms and coordinate-dependent ... -
Computing Vibration–Rotation-Tunnelling Levels of HOD Dimer
(2017)Using an accurate 6D water dimer potential energy surface, we compute vibration-rotation tunnelling levels of HOD dimer, by assuming that the two monomers are rigid. HOD dimer has two isomers, a D-bonded isomer and an ... -
Dearomatizing and Derivatizing a Mesityl Group on Boron by One‐Pot Photoisomerization and [4+2] Diels–Alder Addition
(Wiley, 2019)Boron compounds having a conjugated chelate backbone (N,C‐chelate or C,C‐chelate) and two mesityl substituents on boron have been found to undergo a facile one‐pot transformation/reaction with dienophiles, which leads to ... -
Detection Limits of Chemical Sensors: Applications and Misapplications
(2016-03-08)The limit of detection (LOD) and the sensitivity of a chemical sensor are defined using IUPAC guidelines. The LOD from simulated and experimental data is calculated from a calibration curve using a simple statistical model ... -
Detection of Lead Contamination of Water and VOC Contamination of Air Using SOI Micro-Optical Devices
(2016-03-17)Micro-photonic SOI Mach-Zehnder interferometers were coated with solid-phase micro-extraction materials derived from polydimethylsiloxane to enable sensing of volatile organic compounds of the BTEX class in air. A different ... -
Direct Sensing in Liquids Using Whispering-Gallery-Mode Droplet Resonators
(2016-03-03)Liquid droplets suspended by the tip of a thin wire, a glass capillary, or a needle form high-Q optical resonators, thanks to surface tension. Under gravity equilibrium conditions, the maximum drop diameter is approximately ... -
Efficiency enhancement of ternary blend organic photovoltaic cells with molecular glasses as guest acceptors
(Organic Electronics, 2017-11-06)Previously reported glass-forming perylenediimide (PDI-glass) and diketopyrrolopyrrole (DPP-glass) acceptors were used as ternary components to modulate the morphology and electron transport properties of bulk heterojunctions ... -
Electric Field-Induced Nano-Scale Surface Patterning in Mexylaminotriazine-Functionalized Molecular Glass Derivatives
(American Chemical Society, 2016-05-17)Nanoscale surface patterns were observed in thin films of mexylaminotriazine-functionalized glasses containing polar groups upon the application of an electric field at temperatures over their glass transition temperatures ... -
Electrochemistry, Electrocatalysis and Materials Science of Bulk Pt and Nanoscopic Pt, PtNi, PtCo, and Ni(OH)2 Materials: Preparation, Characterization, Catalytic Activity and Corrosion Behaviour
Research on the degradation of platinum (Pt) and nickel (Ni) materials is of high importance to the fuel cell and electrolyser technologies, because their degradation translates into irreversible materials loss and ... -
Enantioselective Rhodium-Catalyzed Allylic Alkylation of β,γ-Unsaturated α-Amino Nitriles: Synthetic Homoenolate Equivalents
(2019-04-07)An enantioselective rhodium-catalyzed allylic alkylation of β,γ-unsaturated α-amino nitriles is described. This protocol provides a novel approach for the construction of β-stereogenic carbonyl derivatives via the catalytic ... -
Enhanced Nanoparticle Detection with Liquid Droplet Resonators
(2016-02-25)Whispering gallery mode particle sensing experiments are commonly performed with solid resonators, whereby the sensing volume is limited to the weak evanescent tail of the mode near the resonator surface. In this work we ... -
Fabrication and Modeling of Multimode Fiber Lenses
(2016-03-07)We report on the fabrication, modeling, and experimental verification of the emission of fiber lenses fabricated on multimode fibers in different media. Concave fiber lenses with a radius of 150 μm were fabricated onto a ...