Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO2 nanoparticles

Titania (TiO2) nanoparticles (NPs) are widely employed in applications that take advantage of their photochemical properties (e.g. pollutant degradation, photocatalysis). Here, we study the interrelation between crystallinity, surface hydroxylation and electronic structure in titania NPs with 1.4–2....

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Veröffentlicht in:	Nanoscale 2023-03, Vol.15 (10), p.4809-4820
Hauptverfasser:	Recio-Poo, Miguel, Morales-García, Ángel, Illas, Francesc, Bromley, Stefan T
Format:	Artikel
Sprache:	eng
Schlagworte:	Anatase Annealing Crystal structure Crystallinity Crystallites Density functional theory Electron density Electronic structure Energy gap Hydroxylation Nanomaterials Nanoparticles Titanium dioxide
Online-Zugang:	Volltext
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