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Browsing Solar Energy Conversion (SEC) Cluster Research Collection by Title
Now showing items 34-53 of 55
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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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(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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(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 ...
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(Elsevier, 2010-11)In this contribution a range of photo induced ligand rearrangements observed for first and second row transition metal and organometallic compounds are discussed. The processes discussed include photoinduced ligand exchange, ...
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(RSC publications, 2010-09-28)Gold tip size and multiplicity is controlled in hybrid gold-semiconductor nanorods (CdS-Au, CdSe-Au and CdTe-Au) in fast reaction times of less than 2 minutes by optimising precursor type, concentration, and temperature. ...
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(RSC publications, 2010)Dye sensitised solar cells (DSSCs) use a mesoporous TiO2 scaffold, typically assisted by an adsorbed dye, as the main active element, responsible for the photon absorption, exciton generation and charge separation ...
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(RSC publications, 2009)A series of binuclear ruthenium and osmium complexes [(bipy)2Ru(qpy)Ru(bipy)2]4+ (1), [(bipy)2-Os(qpy)Os(bipy)2]4+ (2)[(bipy)2Ru(pytr-bipy)Ru(bipy)2]3+ (3), [(bipy)2Ru(pytr-bipy)Os(bipy)2]3+ (4), [(bipy)2Os(pytr-bipy)Ru ...
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(ACS Publications, 2009-08-06)Spontaneous elongation from nanorod to nanowire in the presence of an amine is reported for nanocrystals of cadmium sulfide and silver sulfide (cation exchanged from CdS). Elongation occurs instantaneously where the final ...
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(Springer, 2013-02)Spray deposition followed by sintering of nickel oxide (NiO x ) nanoparticles (average diameter: 40 nm) has been chosen as method of deposition of mesoporous NiO x coatings onto indium tin oxide (ITO) substrates. This ...
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(Taylor and Francis, 2011-10-19)Equilibrium classical molecular dynamics (MD) simulations have been performed to investigate the vibrational motion of water in contact with rutile-(110), rutile-(100), rutile-(001), anatase-(101) and anatase-(001) surfaces ...
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(ACS Publications, 2009-04-20)The electronic properties and photocatalytic activity of S and/or Bi-doped anatase TiO2 are investigated by first-principles density functional theory calculations. For S-doped TiO2, S 3p states locate above the top of the ...
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Synergistic effects on band gap-narrowing in titania by codoping from first-principles calculations (ACS Publications, 2010-02-12)The large intrinsic band gap in TiO2 has hindered severely its potential application for visible-light irradiation. In this study, we have used a passivated approach to modify the band edges of anatase-TiO2 by codoping of ...
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(RSC publications, 2010-02-21)The specific immobilisation of a histidine tagged protein, Spi, onto mono-anchored nickel(II) cyclam functionalised SBA-15 is reported.
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(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 ...
Now showing items 34-53 of 55