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Search Results for Collection: Solar Energy Conversion (SEC) Cluster
Now showing items 1-7 of 7
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(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 ...
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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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(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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Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2 interfaces (Taylor and Francis, 2012-04-12)Equilibrium classical molecular dynamics (MD) simulations have been performed to investigate the hydrogen bonding kinetics of water in contact with rutile-(110), rutile-(101), rutile-(100), and anatase-(101) surfaces at ...
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(ACS Publications, 2012-05-07)Using density functional theory (DFT) methods, we have investigated two possible mechanisms for atmospheric CO2 fixation in the cavity of the dinuclear zinc (II) octaazacryptate, and the subsequent reaction with methanol ...
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Dye sensitised solar cells with nickel oxide photocathodes prepared via scalable microwave sintering (RSC Publishing, 2012-12-06)Photoactive NiO electrodes for cathodic dye-sensitised solar cells (p-DSCs) have been prepared with thicknesses ranging between 0.4 and 3.0 mm by spray-depositing pre-formed NiO nanoparticles on fluorine-doped tin oxide ...
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(Royal Society of Chemistry, 2012-10-10)The complex IrCl2(Cp*)(trz) (trz = triazolylidene), 2, was prepared from readily available 1,3-dimethyl-4-phenyl-1,2,3-triazolium salt. Under basic conditions, the C-bound phenyl group readily cyclometalates, while under ...
Now showing items 1-7 of 7