Surface Modification of TiO2 with Ascorbic Acid for Heterogeneous Photocatalysis Theory and Experiment

MERT, Emine Hilal; Yalçin, Yelda; Kiliç, Murat; San, Nevim; Çinar, Zekiye

doi:10.1515/jaots-2008-0203

Surface Modification of TiO2 with Ascorbic Acid for Heterogeneous Photocatalysis Theory and Experiment

Yazarlar (5)

Prof. Dr. Emine Hilal MERT Yıldız Teknik Üniversitesi, Türkiye

Yelda Yalçin Yıldız Teknik Üniversitesi, Türkiye

Murat Kiliç Yıldız Teknik Üniversitesi, Türkiye

Nevim San Yıldız Teknik Üniversitesi, Türkiye

Zekiye Çinar Yıldız Teknik Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Journal of Advanced Oxidation Technologies (Q2)
Dergi ISSN	1203-8407
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	İngilizce	Basım Tarihi	07-2008
Cilt / Sayı / Sayfa	11 / 2 / 199–207	DOI	10.1515/jaots-2008-0203

Özet

The photocatalytic activity of TiO2 particles was improved by surface modification with L(+)-ascorbic acid (AA), through the formation of a charge-transfer complex on the photocatalyst particles. In order to characterize and describe the effect of surface modification by AA on the electronic and structural properties of TiO2, a combination of experimental structural methods and DFT calculations were used. Surface modified photocatalysts with different AA contents were prepared by an incipient wet impregnation method and characterized by FTTR, XRD, SEM and UV-DRS. In the theoretical part of the study, a neutral, stoichiometric cluster Ti 9O18 cut from the anatase bulk structure and a new model for the surface modified AA-Ti9O18 were developed. The DFT calculations were carried out by the hybrid B3LYP functional, which combines HF and Becke exchange terms with the Lee-Yang-Parr correlation functional by using double-zeta, LanL2DZ basis set. The formation process of the complex and its effect on the electronic structure of TiO2 were examined. The optimized geometries, the frontier-orbital energies, energy gaps, Mulliken charge distributions of the atoms on the surface were determined. The photocatalytic activity of the AA-modified Ti02 photocatalyst was also determined by investigating the kinetics of the photocatalytic degradation of hydroquinone, an environmentally important pollutant, in the presence of bare and surface modified TiO2. © 2008 Science & Technology Network, Inc.

Anahtar Kelimeler

Ascorbic acid | DFT calculations | Heterogeneous photocatalysis | Surface modification

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
SCOPUS	21
Google Scholar	29

Surface Modification of TiO2 with Ascorbic Acid for Heterogeneous Photocatalysis Theory and Experiment

Surface Modification of TiO2 with Ascorbic Acid for Heterogeneous Photocatalysis Theory and Experiment

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