Search results for "nitrogen doping"

showing 3 items of 3 documents

Theoretical investigations of nitrogen doping on Co 3 O 4 for water dissociation catalytically activity

2018

We report the results of theoretical investigations of nitrogen doping on Co 3 O 4 (100) bulk by means of the plane-wave periodic density functional theory (DFT) calculations combined with the Hubbard-U approach and statistical thermodynamics.Using accurate DFT+U calculations, we have shown that bulk Co ions denote charges in value 0.017 - 0.57e. For further water adsorption process studies was selected structures with most changes in charges in Co ions: (3) structure for n = 25%, (2) structure forn = 12.5% and structure for (1) structure.

HistoryMaterials scienceNitrogen doping02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesDissociation (chemistry)0104 chemical sciencesComputer Science ApplicationsEducationPeriodic density functional theoryAdsorption13. Climate action:NATURAL SCIENCES:Physics [Research Subject Categories]Physical chemistry0210 nano-technology
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Influence of Nitrogen Doping on Device Operation for TiO 2 -Based Solid-State Dye-Sensitized Solar Cells: Photo-Physics from Materials to Devices

2016

International audience; Solid-state dye-sensitized solar cells (ssDSSC) constitute a major approach to photovoltaic energy conversion with efficiencies over 8% reported thanks to the rational design of efficient porous metal oxide electrodes, organic chromophores, and hole transporters. Among the various strategies used to push the performance ahead, doping of the nanocrystalline titanium dioxide (TiO 2) electrode is regularly proposed to extend the photo-activity of the materials into the visible range. However, although various beneficial effects for device performance have been observed in the literature, they remain strongly dependent on the method used for the production of the metal o…

Materials scienceGeneral Chemical EngineeringKineticsta221Oxide02 engineering and technology010402 general chemistry01 natural sciences7. Clean energylcsh:Chemistrychemistry.chemical_compoundX-ray photoelectron spectroscopyphoto-responseTiO2General Materials Sciencespiro-OMeTADDopantta114business.industryDopingsolid-state dye-sensitized solar cells; TiO<sub>2</sub>; nitrogen doping; photo-physics; photo-response; spiro-OMeTADnitrogen doping[CHIM.MATE]Chemical Sciences/Material chemistrysolid-state dye-sensitized solar cells021001 nanoscience & nanotechnology0104 chemical sciencesDye-sensitized solar celllcsh:QD1-999chemistrySpiro-OMeTADElectrodeOptoelectronicsCharge carrier0210 nano-technologybusinessphoto-physicsTiO 2
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Influence of Nitrogen Doping on Device Operation for TiO₂-Based Solid-State Dye-Sensitized Solar Cells: Photo-Physics from Materials to Devices.

2015

Solid-state dye-sensitized solar cells (ssDSSC) constitute a major approach to photovoltaic energy conversion with efficiencies over 8% reported thanks to the rational design of efficient porous metal oxide electrodes, organic chromophores, and hole transporters. Among the various strategies used to push the performance ahead, doping of the nanocrystalline titanium dioxide (TiO2) electrode is regularly proposed to extend the photo-activity of the materials into the visible range. However, although various beneficial effects for device performance have been observed in the literature, they remain strongly dependent on the method used for the production of the metal oxide, and the influence o…

spiro-OMeTADphoto-responsenitrogen dopingTiO2solid-state dye-sensitized solar cellsphoto-physicsArticleNanomaterials (Basel, Switzerland)
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