Enhanced photocatalytic activity of anatase-TiO2 nanoparticles by fullerene modification: A theoretical and experimental study

Kezhen Qi, Rengaraj Selvaraj, Tharaya Al Fahdi, Salma Al-Kindy, Younghun Kim, Gui Chang Wang, Cheuk Wai Tai, Mika Sillanpää

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

A series of fullerene (C60)-modified anatase TiO2 (a-TiO2) nanocomposites with different weight loadings of C60 were successfully synthesized by a simple solution phase method. The as-prepared C60@a-TiO2 nanocomposites were characterized by X-ray diffraction (XRD), Raman spectroscopy, Brunauer-Emmett-Teller (BET), UV–vis diffuse reflectance absorption spectra (DRS), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The photocatalytic degradation of methylene blue (MB) by the neat a-TiO2 and C60@a-TiO2 nanocomposites was investigated under UV-A light irradiation, demonstrating that C60 effectively enhances the photocatalytic activity of a-TiO2 nanoparticles with an optimal amount of 2.0 wt%. By combining with the density functional theory (DFT) calculations, we investigated the electronic structures of C60@a-TiO2 hetero-interfaces to reveal the underlying principle of the C60 loading on the photocatalytic activity. It was found that the incorporation of C60 on the a-TiO2 surface not only narrowed the band gap, but also introduced an additional doping state between the valance and conduction band. Therefore, the presence of intermediate electronic state will in turn contribute to the efficient charge separation and enhanced light adsorption for the C60@a-TiO2 nanocomposites, resulting in an improved photocatalytic performance.

Original languageEnglish
Pages (from-to)750-758
Number of pages9
JournalApplied Surface Science
Volume387
DOIs
Publication statusPublished - Nov 30 2016

Fingerprint

Fullerenes
Titanium dioxide
Nanoparticles
Nanocomposites
titanium dioxide
Electron energy loss spectroscopy
Methylene Blue
Electronic states
Conduction bands
Electronic structure
Density functional theory
Raman spectroscopy
Absorption spectra
Energy gap
X ray photoelectron spectroscopy
Doping (additives)
Irradiation
Transmission electron microscopy
Adsorption
X ray diffraction

Keywords

  • Anatase nanoparticles
  • DFT calculation
  • Fullerene modification
  • Photocatalyst

ASJC Scopus subject areas

  • Surfaces, Coatings and Films

Cite this

Enhanced photocatalytic activity of anatase-TiO2 nanoparticles by fullerene modification : A theoretical and experimental study. / Qi, Kezhen; Selvaraj, Rengaraj; Al Fahdi, Tharaya; Al-Kindy, Salma; Kim, Younghun; Wang, Gui Chang; Tai, Cheuk Wai; Sillanpää, Mika.

In: Applied Surface Science, Vol. 387, 30.11.2016, p. 750-758.

Research output: Contribution to journalArticle

Qi, Kezhen ; Selvaraj, Rengaraj ; Al Fahdi, Tharaya ; Al-Kindy, Salma ; Kim, Younghun ; Wang, Gui Chang ; Tai, Cheuk Wai ; Sillanpää, Mika. / Enhanced photocatalytic activity of anatase-TiO2 nanoparticles by fullerene modification : A theoretical and experimental study. In: Applied Surface Science. 2016 ; Vol. 387. pp. 750-758.
@article{d3ed1d374c494cf3a5de0cdd505c53f3,
title = "Enhanced photocatalytic activity of anatase-TiO2 nanoparticles by fullerene modification: A theoretical and experimental study",
abstract = "A series of fullerene (C60)-modified anatase TiO2 (a-TiO2) nanocomposites with different weight loadings of C60 were successfully synthesized by a simple solution phase method. The as-prepared C60@a-TiO2 nanocomposites were characterized by X-ray diffraction (XRD), Raman spectroscopy, Brunauer-Emmett-Teller (BET), UV–vis diffuse reflectance absorption spectra (DRS), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The photocatalytic degradation of methylene blue (MB) by the neat a-TiO2 and C60@a-TiO2 nanocomposites was investigated under UV-A light irradiation, demonstrating that C60 effectively enhances the photocatalytic activity of a-TiO2 nanoparticles with an optimal amount of 2.0 wt{\%}. By combining with the density functional theory (DFT) calculations, we investigated the electronic structures of C60@a-TiO2 hetero-interfaces to reveal the underlying principle of the C60 loading on the photocatalytic activity. It was found that the incorporation of C60 on the a-TiO2 surface not only narrowed the band gap, but also introduced an additional doping state between the valance and conduction band. Therefore, the presence of intermediate electronic state will in turn contribute to the efficient charge separation and enhanced light adsorption for the C60@a-TiO2 nanocomposites, resulting in an improved photocatalytic performance.",
keywords = "Anatase nanoparticles, DFT calculation, Fullerene modification, Photocatalyst",
author = "Kezhen Qi and Rengaraj Selvaraj and {Al Fahdi}, Tharaya and Salma Al-Kindy and Younghun Kim and Wang, {Gui Chang} and Tai, {Cheuk Wai} and Mika Sillanp{\"a}{\"a}",
year = "2016",
month = "11",
day = "30",
doi = "10.1016/j.apsusc.2016.06.134",
language = "English",
volume = "387",
pages = "750--758",
journal = "Applied Surface Science",
issn = "0169-4332",
publisher = "Elsevier",

}

TY - JOUR

T1 - Enhanced photocatalytic activity of anatase-TiO2 nanoparticles by fullerene modification

T2 - A theoretical and experimental study

AU - Qi, Kezhen

AU - Selvaraj, Rengaraj

AU - Al Fahdi, Tharaya

AU - Al-Kindy, Salma

AU - Kim, Younghun

AU - Wang, Gui Chang

AU - Tai, Cheuk Wai

AU - Sillanpää, Mika

PY - 2016/11/30

Y1 - 2016/11/30

N2 - A series of fullerene (C60)-modified anatase TiO2 (a-TiO2) nanocomposites with different weight loadings of C60 were successfully synthesized by a simple solution phase method. The as-prepared C60@a-TiO2 nanocomposites were characterized by X-ray diffraction (XRD), Raman spectroscopy, Brunauer-Emmett-Teller (BET), UV–vis diffuse reflectance absorption spectra (DRS), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The photocatalytic degradation of methylene blue (MB) by the neat a-TiO2 and C60@a-TiO2 nanocomposites was investigated under UV-A light irradiation, demonstrating that C60 effectively enhances the photocatalytic activity of a-TiO2 nanoparticles with an optimal amount of 2.0 wt%. By combining with the density functional theory (DFT) calculations, we investigated the electronic structures of C60@a-TiO2 hetero-interfaces to reveal the underlying principle of the C60 loading on the photocatalytic activity. It was found that the incorporation of C60 on the a-TiO2 surface not only narrowed the band gap, but also introduced an additional doping state between the valance and conduction band. Therefore, the presence of intermediate electronic state will in turn contribute to the efficient charge separation and enhanced light adsorption for the C60@a-TiO2 nanocomposites, resulting in an improved photocatalytic performance.

AB - A series of fullerene (C60)-modified anatase TiO2 (a-TiO2) nanocomposites with different weight loadings of C60 were successfully synthesized by a simple solution phase method. The as-prepared C60@a-TiO2 nanocomposites were characterized by X-ray diffraction (XRD), Raman spectroscopy, Brunauer-Emmett-Teller (BET), UV–vis diffuse reflectance absorption spectra (DRS), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The photocatalytic degradation of methylene blue (MB) by the neat a-TiO2 and C60@a-TiO2 nanocomposites was investigated under UV-A light irradiation, demonstrating that C60 effectively enhances the photocatalytic activity of a-TiO2 nanoparticles with an optimal amount of 2.0 wt%. By combining with the density functional theory (DFT) calculations, we investigated the electronic structures of C60@a-TiO2 hetero-interfaces to reveal the underlying principle of the C60 loading on the photocatalytic activity. It was found that the incorporation of C60 on the a-TiO2 surface not only narrowed the band gap, but also introduced an additional doping state between the valance and conduction band. Therefore, the presence of intermediate electronic state will in turn contribute to the efficient charge separation and enhanced light adsorption for the C60@a-TiO2 nanocomposites, resulting in an improved photocatalytic performance.

KW - Anatase nanoparticles

KW - DFT calculation

KW - Fullerene modification

KW - Photocatalyst

UR - http://www.scopus.com/inward/record.url?scp=84978110498&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84978110498&partnerID=8YFLogxK

U2 - 10.1016/j.apsusc.2016.06.134

DO - 10.1016/j.apsusc.2016.06.134

M3 - Article

AN - SCOPUS:84978110498

VL - 387

SP - 750

EP - 758

JO - Applied Surface Science

JF - Applied Surface Science

SN - 0169-4332

ER -