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Browsing Solar Energy Conversion (SEC) Cluster Research Collection by Title
Now showing items 21-40 of 52
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(ACS Publications, 2009-04-20)The energetic and electronic properties of various P doping configurations at the rutile TiO2 (110) surface are investigated by first-principles density functional theory (DFT) calculations. Several substitution and ...
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(Elsevier, 2009-10)Non-equilibrium molecular dynamics (NEMD) simulations have been performed for static electric fields for a range of positively charged spherical rutile–titania nanoparticles with radii of 1.5 to 2.9 nm for two different ...
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(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 ...
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(ACS Publications, 2010-02)The synthesis of two asymmetric dinuclear complexes with the formula [M(bpy)2(bpt)Ru(tpy)Cl]2+, where M = Ru (1a), Os(2a); bpy = 2,2’-bipyridyl; Hbpt = 3,5-bis(pyridin-2-yl)1,2,4-triazole and tpy = 2,2’,6’,2”-terpyridine, ...
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(RSC publications, 2011-10-07)A facile spin cast route was developed to convert perpendicularly aligned nanorod assemblies of cadmium chalcogenides into their silver and copper analogues. The assemblies are rapidly cation exchanged without affecting ...
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(Wiley, 2010-08-23)The energetic and electronic structures of V-doped anatase TiO2 have been investigated systematically by the GGA+U approach, including replacement of Ti by V in the absence and presence of oxygen vacancies and the presence ...
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(American Institute of Physics, 2009-04-02)The electronic properties and photocatalytic activity of nitrogen (N) and/or tungsten (W)-doped anatase are calculated using density functional theory. For N-doping, isolated N 2p states above the top of the valence band ...
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(ACS Publications, 2009-09-15)The structural, energetic and electronic properties of various S doping configurations by substitution and adsorption at the rutile TiO2 (110) surface have been investigated by first-principles density functional theory ...
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(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 ...
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(RSC publications, 2009)This is the first report on the rheological properties of oil-gelled polymerizable bicontinuous microemulsions. The polymerizable base system consists of H2O / NIPAm / BisAm – n-dodecane – C13/15E5 (a technical grade n-alkyl ...
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(Society of Photo-Optical Instrumentation Engineers, 2009-08-02)The temporal response of a biomimetic dye-sensitized solar cell (DSSC) is critically linked to the intensity of the incident light. When a DSSC is partially illuminated and the incoming light is of low intensity, the ...
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(SPIE, 2010-04-13)At present there is a global concern of environmental issues and future energy supplies, for instance global warming and the rapid depletion of fossil fuels. This trepidation has initiated a more critical investigation ...
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(American Physical Society, 2009-09-22)Based on first-principles calculations, we have investigated the magnetic properties of the first-row element-doped ZnS semiconductors. Calculations reveal that Be, B, and C dopants can induce magnetic, while N cannot lead ...
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(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, ...
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(RSC publications, 2010-01)High yields of single-crystalline silicon nanowires and germanium/silicon oxide core-shell nanostructures were synthesized using a supercritical fluid-solid-solid growth mechanism. The formation of the one-dimensional ...
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(Taylor and Francis, 2011-05-19)We have carried out classical molecular dynamics of various surfaces of TiO2 with its interface with water. We report the geometrical features of the first and second monolayers of water using a Matsui Akaogi (MA) force ...
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(Taylor and Francis, 2011-05-19)We have carried out classical molecular dynamics of various surfaces of TiO2 with its interface with water. We report the geometrical features of the first and second monolayers of water using a Matsui Akaogi (MA) force ...
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(Elsevier, 2008-11-21)We studied the phase diagrams of microemulsions with a view to using these systems for the synthesis of metallic Pt, Pb, and Bi nanoparticles as well as of intermetallic Pt/Pb and Pt/Bi nanoparticles. The microemulsions ...
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(Elsevier, 2009-09)Phase diagrams of microemulsions containing metal salt(s) and reducing agent, respectively, were studied in detail. The microemulsions were based on non-ionic surfactants, namely pure tetraethyleneglycol monododecylether, ...
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(RSC publications, 2010)Photochemically induced ligand rearrangements for the N2 and N4 coordination isomers of the complex [Ru(bpy)2(Hpztr)]2+ and its deprotonated analogue [Ru(bpy)2(pztr)]+, where bpy is 2,2’-bipyridyl and Hpztr is ...
Now showing items 21-40 of 52