Browsing Chemical and Bioprocess Engineering Research Collection by Author "MacElroy, J. M. Don"

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Browsing Chemical and Bioprocess Engineering Research Collection by Author

Browsing Chemical and Bioprocess Engineering Research Collection by Author "MacElroy, J. M. Don"

Now showing items 1-11 of 11

Achieving enhanced DSSC performance by microwave plasma incorporation of carbon into TiO2 photoelectrodes

Dang, Binh H.Q. ; MacElroy, J. M. Don ; Dowling, Denis P. (Elsevier, 2012-12-29)

The photoactivity of carbon-incorporated titanium dioxide (TiO2) has been widely reported. This study involves a novel approach to the incorporation of carbon into TiO2 through the use of microwave plasma processing. The ...
Activation of hematite nanorod arrays for photoelectrochemical water splitting

Morrish, Rachel ; Rahman, Mahfujur ; MacElroy, J. M. Don ; Wolden, Colin Andrew (Wiley, 2011-04-18)

Hematite nanorod arrays were activated through proper control of annealing conditions. The 100-fold improvement in photocurrent was correlated with increased absorption and Sn doping from the tin oxide coated glass ...
Application of a novel microwave plasma treatment for the sintering of nickel oxide coatings for use in dye-sensitized solar cells

Awais, Muhammad ; Rahman, Mahfujur ; MacElroy, J. M. Don ; Dini, Danilo ; Vos, Johannes G. ; Dowling, Denis P. (Elsevier, 2011-07-25)

In this study the use of microwave plasma sintering of nickel oxide (NiOx) particles for use as p-type photoelectrode coatings in dye-sensitized solar cells (DSSCs) is investigated. NiOx was chosen as the photocathode for ...
Conversion of amorphous TiO2 coatings into their crystalline form using a novel microwave plasma treatment

Dang, Binh H.Q. ; Rahman, Mahfujur ; MacElroy, J. M. Don ; Dowling, Denis P. (Elsevier, 2011-07-25)

Crystalline titanium dioxide (TiO2) coatings have been widely used in photo-electrochemical solar cell applications. In this study, TiO2 and carbon-doped TiO2 coatings were deposited onto unheated titanium and silicon wafer ...
Dynamical and energetic properties of hydrogen and hydrogen–tetrahydrofuran clathrate hydrates

Gorman, Paul D. ; English, Niall J. ; MacElroy, J. M. Don (RSC publications, 2011-10-03)

Classical equilibrium molecular dynamics (MD) simulations have been performed to investigate the dynamical and energetic properties in hydrogen and mixed hydrogen-tetrahydrofuran sII hydrates at 30 and 200K and 0.05 kbar, ...
Dynamical cage behaviour and hydrogen migration in hydrogen and hydrogen-tetrahydrofuran clathrate hydrates

Gorman, Paul D. ; English, Niall J. ; MacElroy, J. M. Don (American Institute of Physics, 2012-01-24)

Classical equilibrium molecular dynamics(MD) simulations have been performed to investigate dynamical properties of cage radial breathing modes and intra- and inter-cage hydrogen migration in both pure hydrogen and mixed ...
Electrophoretic deposition of poly(3-decylthiophene) onto gold-mounted cadmium selenide nanorods

Garate, Jose-Antonio ; English, Niall J. ; Singh, Ajay ; Ryan, Kevin M. ; Mooney, Damian A. ; MacElroy, J. M. Don (ACS Publications, 2011-09-21)

Molecular mechanisms of electrophoretic deposition (EPD) of poly(3-decylthiophene) (P3DT) molecules onto vertically aligned cadmium selenide arrays have been studied using large-scale, nonequilibrium molecular dynamics ...
Evaluation of microwave plasma oxidation treatments for the fabrication of photoactive un-doped and carbon-doped TiO2 coatings

Dang, Binh H.Q. ; Rahman, Mahfujur ; MacElroy, J. M. Don ; Dowling, Denis P. (Elsevier, 2012-05-25)

The photoactivity of both un-doped and carbon-doped titanium dioxide (TiO2) coatings has been widely reported. In this paper, the use of a microwave plasma as a novel oxidation treatment for the fabrication of these coatings ...
First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

Agrawal, Saurabh ; Dev, Pratibha ; English, Niall J. ; Thampi, Ravindranathan ; MacElroy, J. M. Don (RSC publishing, 2011-06-23)

Using Time-Dependent Density Functional Theory (TD-DFT), we have investigated the optical properties of dye-sensitized solar cells (DSSCs) comprised of TiO2 nanoparticle sensitized with two coumarins, namely, NKX-2311 and ...
Mechanisms for thermal conduction in hydrogen hydrate

English, Niall J. ; Gorman, Paul D. ; MacElroy, J. M. Don (American Institute of Physics, 2012-01-23)

Extensive equilibrium molecular dynamics (MD) simulations have been performed to investigate thermal conduction mechanisms via the Green-Kubo approach for (type II) hydrogen hydrate, at 0.05 kbar and between 30 and 250 K, ...
A TD-DFT study of the effects of structural variations on the photochemistry of polyene dyes

Agrawal, Saurabh ; Dev, Pratibha ; English, Niall J. ; Thampi, Ravindranathan ; MacElroy, J. M. Don (RSC publications, 2011-10-06)

We report a TD-DFT study of three polyene dyes namely: NKX-2553, NKX-2554 and NKX-2569 in isolation as well as upon their adsorption on TiO2 nanoparticles. By choosing closely related dyes we wish to focus on the effects ...