Search results for "Slab model"

showing 2 items of 2 documents

2D Slab Models of Nanotubes Based on Tetragonal TiO2 Structures: Validation over a Diameter Range

2021

This research was funded by the M-ERA.NET project ?Multiscale computer modelling, synthesis and rational design of photo(electro)catalysts for efficient visible-light-driven seawater splitting? (CatWatSplit). Institute of Solid State Physics, University of Latvia as the Center of Excel-lence has received funding from the European Union?s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2.

Slab modelAnataseWork (thermodynamics)NanotubeWater adsorptionMaterials scienceGeneral Chemical EngineeringComputationChemieAb initio02 engineering and technology010402 general chemistryDFTwater splitting7. Clean energy01 natural sciencesArticlenanotubesNanomaterialsTetragonal crystal systemLattice constantslab modelTiO2General Materials ScienceWater splittingQD1-999water adsorptionNanotubesPhysik (inkl. Astronomie)021001 nanoscience & nanotechnology0104 chemical sciencesComputational physicsChemistry:NATURAL SCIENCES [Research Subject Categories]0210 nano-technologyTiO<sub>2</sub>Nanomaterials
researchProduct

2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range

2020

Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2019/2 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART 2 .

Work (thermodynamics)NanotubeSlab modelMaterials scienceWater adsorptionGeneral Physics and Astronomy02 engineering and technology01 natural sciencesDFTNanomaterialsCondensed Matter::Materials ScienceAdsorptionLattice constant0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]TiO2Water splitting010302 applied physicsNanotubes021001 nanoscience & nanotechnologylcsh:QC1-999Chemical physicsSlabWater splitting0210 nano-technologylcsh:PhysicsPhotocatalytic water splitting
researchProduct