Elucidating the enhanced decomposition of alkyl hydroperoxides on oxygen vacancy rich TiO2-x surfaces using DFT for polyethylene decomposition.
Phys Chem Chem Phys
; 24(42): 25735-25739, 2022 Nov 02.
Article
en En
| MEDLINE
| ID: mdl-36278396
ABSTRACT
Effective photocatalytic polyethylene degradation by TiO2 is hindered by the sluggish kinetics of alkyl hydroperoxide decomposition. Introduction of oxygen vacancies onto TiO2 destabilizes the hydroperoxide O-O bond due to mid-gap states and the elevated Fermi level. Downshift of the d-band center by oxygen vacancies also enhanced adsorbate-surface interactions and lowered the activation energy barrier from Gibbs calculations. Experimental evidence additionally substantiated enhanced polyethylene degradation on TiO2-x compared to TiO2.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2022
Tipo del documento:
Article
País de afiliación:
Malasia