Articles with "slab models" as a keyword



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

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Published in 2020 at "Results in physics"

DOI: 10.1016/j.rinp.2020.103527

Abstract: Abstract Currently a lot of attention is paid to 1D nanomaterials due to their advantages in comparison to bulk materials. They offer broad possibilities of application, including photocatalytic water splitting. Simulations of water adsorption on… read more here.

Keywords: slab models; water adsorption; water; diameter range ... See more keywords
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2D Slab Models of Nanotubes Based on Tetragonal TiO2 Structures: Validation over a Diameter Range

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Published in 2021 at "Nanomaterials"

DOI: 10.3390/nano11081925

Abstract: One-dimensional nanomaterials receive much attention thanks to their advantageous properties compared to simple, bulk materials. A particular application of 1D nanomaterials is photocatalytic hydrogen generation from water. Such materials are studied not only experimentally, but… read more here.

Keywords: based tetragonal; tetragonal tio2; nanotubes based; models nanotubes ... See more keywords