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Full-Text Articles in Engineering
Methane Activation On Fe4 Cluster: A Density Functional Theory Study, Qiao Sun, Zhen Li, Meng Wang, Aijun Du, Sean C. Smith
Methane Activation On Fe4 Cluster: A Density Functional Theory Study, Qiao Sun, Zhen Li, Meng Wang, Aijun Du, Sean C. Smith
Australian Institute for Innovative Materials - Papers
We report a comprehensive theoretical study on reaction of methane by Fe4 cluster. This Letter gains insight into the mechanism of the reaction and indicate the Fe4 cluster has strong catalytic effect on the activation reaction of methane. In detail, the results show the cleavage of the first C-H bond is both an energetically and kinetically favourable process and the breaking of the second C-H is the rate-determining step. Moreover, our Letter demonstrates that the different cluster size of iron can not only determine the catalytic activity of methane but also control the product selectivity.
Physicochemical Study Of Spiropyran-Terthiophene Derivatives: Photochemistry And Thermodynamics, Michele Zanoni, Simon Coleman, Kevin J. Fraser, Robert P. Byrne, Klaudia K. Wagner, Sanjeev Gambhir, David L. Officer, Gordon G. Wallace, D Diamond
Physicochemical Study Of Spiropyran-Terthiophene Derivatives: Photochemistry And Thermodynamics, Michele Zanoni, Simon Coleman, Kevin J. Fraser, Robert P. Byrne, Klaudia K. Wagner, Sanjeev Gambhir, David L. Officer, Gordon G. Wallace, D Diamond
Australian Institute for Innovative Materials - Papers
The photochemistry and thermodynamics of two terthiophene (TTh) derivatives bearing benzospiropyran (BSP) moieties, 1-(3,3''-dimethylindoline-6'-nitrobenzospiropyranyl)-2-ethyl 4,4''-didecyloxy-2,2':5',2''-terthiophene-30-acetate (BSP-2) and 1-(3,3''-dimethylindoline-6'- nitrobenzospiropyranyl)-2-ethyl 4,4''-didecyloxy-2,2':5',2''-terthiophene-30-carboxylate (BSP-3), differing only by a single methylene spacer unit, have been studied. The kinetics of photogeneration of the equivalent merocyanine (MC) isomers (MC-2 and MC-3, respectively), the isomerisation properties of MC-2 and MC-3, and the thermodynamic parameters have been studied in acetonitrile, and compared to the parent, non-TTh-functionalised, benzospiropyran derivative, BSP-1. Despite the close structural similarity of BSP-2 and BSP-3, their physicochemical properties were found to differ significantly; examples include activation energies (Ea(MC-2) = 75.05 kJ mol-1, …
Hollow Nitrogen Containing Core/Shell Fibrous Carbon Nanomaterials As Support To Platinum Nanocatalysts And Their Tem Tomography Study, Cuifeng Zhou, Zongwen Liu, Xusheng Du, David Rg Mitchell, Yiu-Wing Mai, Yushan Yan, Simon Peter Ringer
Hollow Nitrogen Containing Core/Shell Fibrous Carbon Nanomaterials As Support To Platinum Nanocatalysts And Their Tem Tomography Study, Cuifeng Zhou, Zongwen Liu, Xusheng Du, David Rg Mitchell, Yiu-Wing Mai, Yushan Yan, Simon Peter Ringer
Australian Institute for Innovative Materials - Papers
Core/shell nanostructured carbon materials with carbon nanofiber (CNF) as the core and a nitrogen (N)-doped graphitic layer as the shell were synthesized by pyrolysis of CNF/polyaniline (CNF/PANI) composites prepared by in situ polymerization of aniline on CNFs. High-resolution transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared and Raman analyses indicated that the PANI shell was carbonized at 900 degress C. Platinum (Pt) nanoparticles were reduced by formic acid with catalyst supports. Compared to the untreated CNF/ PANI composites, the carbonized composites were proven to be better supporting materials for the Pt nanocatalysts and showed superior performance as catalyst …
Parameters Controlling Emission Of Terahertz Frequency Electromagnetic Radiation From Inas And Gaas: An Ensemble Monte Carlo Simulation Study, David Laurence Cortie, Roger A. Lewis
Parameters Controlling Emission Of Terahertz Frequency Electromagnetic Radiation From Inas And Gaas: An Ensemble Monte Carlo Simulation Study, David Laurence Cortie, Roger A. Lewis
Australian Institute for Innovative Materials - Papers
The generation, manipulation and detection of terahertz-frequency electromagnetic radiation are topics of great current theoretical and experimental interest. In particular, the coherent generation and detection of ultrashort pulses of terahertz radiation has opened up the field of terahertz time-domain spectroscopy, which permits the simultaneous measurement of amplitude and phase of the terahertz electric field. In this paper, the emission of terahertz radiation from bare semiconductor surfaces following photoexcitation by ultrashort pulses of near-infrared radiation is studied using ensemble Monte Carlo simulations. The simulation allows us to examine separately distinct scattering mechanisms and to vary the materials parameters of bandgap, absorption …