6533b855fe1ef96bd12b13c5

RESEARCH PRODUCT

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

Sergei PiskunovStephane KenmoeDmitry BocharovOleg Lisovski

subject

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>

description

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.

yearjournalcountryeditionlanguage
2021-07-01Nanomaterials
https://doi.org/10.3390/nano11081925