Facile preparation of g-C3N4 modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement

Shan Shi; M. A. Gondal; A. A. Al-Saadi; Radek Fajgar; Jaroslav Kupcik; Xiaofeng Chang; Kai Shen; Qingyu Xu; Z. S. Seddigi

doi:10.1016/j.jcis.2013.10.052

Facile preparation of g-C₃N₄ modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement

Shan Shi, M. A. Gondal, A. A. Al-Saadi, Radek Fajgar, Jaroslav Kupcik, Xiaofeng Chang, Kai Shen^*, Qingyu Xu, Z. S. Seddigi

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

129 Scopus citations

Abstract

A novel hybrid photocatalyst (g-C₃N₄/BiOCl) using g-C₃N₄ series modified with BiOCl having controllable mass ratios among the g-C₃N₄ and BiOCl molecules was prepared through hydrolysis process of Bi³⁺ onto g-C₃N₄, using NaBiO₃ and g-C₃N₄ produced from pyrolysis of melamine as the starting materials. The microstructure, morphology and optical properties of the synthesized g-C₃N₄/BiOCl were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Vis diffuse reflection spectroscopy (DRS) and photoluminescence (PL) emission spectroscopy. The photoactivity of the g-C₃N₄/BiOCl was evaluated by photodegradation of Rhodamine B(RhB) from water as a model toxic contaminant. The RhB photodegradation results revealed that the photocatalytic activity of g-C₃N₄/BiOCl hybrid photocatalyst (mass ratio of g-C₃N₄/BiOCl equals to 2:8) exhibits superior activity as compared with pure BiOCl under visible light irradiation. The effects of pH, initial concentration of the model contaminant as well as the catalyst recycling on the photoactivity (or photostability) of g-C₃N₄/BiOCl were investigated in depth as well. Quantum chemical calculations revealed that the photoactivity enhancement is strongly dependent on the active role played by the frontier orbital energy levels of dye molecules and a probable correlation of "structure-activity" relationship was established.

Original language	English
Pages (from-to)	212-219
Number of pages	8
Journal	Journal of Colloid and Interface Science
Volume	416
DOIs	https://doi.org/10.1016/j.jcis.2013.10.052
State	Published - 15 Feb 2014

Bibliographical note

Funding Information:
The support under the project # R15-CW-11 (MIT11109& MIT11110) by KFUPM is highly appreciated. This work is also supported by the National Natural Science Foundation of China ( 51172044 ), National Science Foundation of Jiangsu Province of China ( BK2011617 ) and the 333 project of Jiangsu province. This work is also partially supported under project no.10-wat1240-10 by KACST under NSTIP scheme.

Keywords

BiOCl
Frontier orbital energy
G-CN
Gaussian 03 program
Hybrid photocatalyst

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Biomaterials
Surfaces, Coatings and Films
Colloid and Surface Chemistry

Access to Document

10.1016/j.jcis.2013.10.052

Cite this

Shi, S., Gondal, M. A., Al-Saadi, A. A., Fajgar, R., Kupcik, J., Chang, X., Shen, K., Xu, Q., & Seddigi, Z. S. (2014). Facile preparation of g-C₃N₄ modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement. Journal of Colloid and Interface Science, 416, 212-219. https://doi.org/10.1016/j.jcis.2013.10.052

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title = "Facile preparation of g-C3N4 modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement",

abstract = "A novel hybrid photocatalyst (g-C3N4/BiOCl) using g-C3N4 series modified with BiOCl having controllable mass ratios among the g-C3N4 and BiOCl molecules was prepared through hydrolysis process of Bi3+ onto g-C3N4, using NaBiO3 and g-C3N4 produced from pyrolysis of melamine as the starting materials. The microstructure, morphology and optical properties of the synthesized g-C3N4/BiOCl were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Vis diffuse reflection spectroscopy (DRS) and photoluminescence (PL) emission spectroscopy. The photoactivity of the g-C3N4/BiOCl was evaluated by photodegradation of Rhodamine B(RhB) from water as a model toxic contaminant. The RhB photodegradation results revealed that the photocatalytic activity of g-C3N4/BiOCl hybrid photocatalyst (mass ratio of g-C3N4/BiOCl equals to 2:8) exhibits superior activity as compared with pure BiOCl under visible light irradiation. The effects of pH, initial concentration of the model contaminant as well as the catalyst recycling on the photoactivity (or photostability) of g-C3N4/BiOCl were investigated in depth as well. Quantum chemical calculations revealed that the photoactivity enhancement is strongly dependent on the active role played by the frontier orbital energy levels of dye molecules and a probable correlation of {"}structure-activity{"} relationship was established.",

keywords = "BiOCl, Frontier orbital energy, G-CN, Gaussian 03 program, Hybrid photocatalyst",

author = "Shan Shi and Gondal, \{M. A.\} and Al-Saadi, \{A. A.\} and Radek Fajgar and Jaroslav Kupcik and Xiaofeng Chang and Kai Shen and Qingyu Xu and Seddigi, \{Z. S.\}",

note = "Funding Information: The support under the project \# R15-CW-11 (MIT11109\& MIT11110) by KFUPM is highly appreciated. This work is also supported by the National Natural Science Foundation of China ( 51172044 ), National Science Foundation of Jiangsu Province of China ( BK2011617 ) and the 333 project of Jiangsu province. This work is also partially supported under project no.10-wat1240-10 by KACST under NSTIP scheme. ",

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Shi, S, Gondal, MA , Al-Saadi, AA, Fajgar, R, Kupcik, J, Chang, X, Shen, K, Xu, Q & Seddigi, ZS 2014, 'Facile preparation of g-C₃N₄ modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement', Journal of Colloid and Interface Science, vol. 416, pp. 212-219. https://doi.org/10.1016/j.jcis.2013.10.052

TY - JOUR

T1 - Facile preparation of g-C3N4 modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement

AU - Shi, Shan

AU - Gondal, M. A.

AU - Al-Saadi, A. A.

AU - Fajgar, Radek

AU - Kupcik, Jaroslav

AU - Chang, Xiaofeng

AU - Shen, Kai

AU - Xu, Qingyu

AU - Seddigi, Z. S.

N1 - Funding Information: The support under the project # R15-CW-11 (MIT11109& MIT11110) by KFUPM is highly appreciated. This work is also supported by the National Natural Science Foundation of China ( 51172044 ), National Science Foundation of Jiangsu Province of China ( BK2011617 ) and the 333 project of Jiangsu province. This work is also partially supported under project no.10-wat1240-10 by KACST under NSTIP scheme.

PY - 2014/2/15

Y1 - 2014/2/15

N2 - A novel hybrid photocatalyst (g-C3N4/BiOCl) using g-C3N4 series modified with BiOCl having controllable mass ratios among the g-C3N4 and BiOCl molecules was prepared through hydrolysis process of Bi3+ onto g-C3N4, using NaBiO3 and g-C3N4 produced from pyrolysis of melamine as the starting materials. The microstructure, morphology and optical properties of the synthesized g-C3N4/BiOCl were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Vis diffuse reflection spectroscopy (DRS) and photoluminescence (PL) emission spectroscopy. The photoactivity of the g-C3N4/BiOCl was evaluated by photodegradation of Rhodamine B(RhB) from water as a model toxic contaminant. The RhB photodegradation results revealed that the photocatalytic activity of g-C3N4/BiOCl hybrid photocatalyst (mass ratio of g-C3N4/BiOCl equals to 2:8) exhibits superior activity as compared with pure BiOCl under visible light irradiation. The effects of pH, initial concentration of the model contaminant as well as the catalyst recycling on the photoactivity (or photostability) of g-C3N4/BiOCl were investigated in depth as well. Quantum chemical calculations revealed that the photoactivity enhancement is strongly dependent on the active role played by the frontier orbital energy levels of dye molecules and a probable correlation of "structure-activity" relationship was established.

AB - A novel hybrid photocatalyst (g-C3N4/BiOCl) using g-C3N4 series modified with BiOCl having controllable mass ratios among the g-C3N4 and BiOCl molecules was prepared through hydrolysis process of Bi3+ onto g-C3N4, using NaBiO3 and g-C3N4 produced from pyrolysis of melamine as the starting materials. The microstructure, morphology and optical properties of the synthesized g-C3N4/BiOCl were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Vis diffuse reflection spectroscopy (DRS) and photoluminescence (PL) emission spectroscopy. The photoactivity of the g-C3N4/BiOCl was evaluated by photodegradation of Rhodamine B(RhB) from water as a model toxic contaminant. The RhB photodegradation results revealed that the photocatalytic activity of g-C3N4/BiOCl hybrid photocatalyst (mass ratio of g-C3N4/BiOCl equals to 2:8) exhibits superior activity as compared with pure BiOCl under visible light irradiation. The effects of pH, initial concentration of the model contaminant as well as the catalyst recycling on the photoactivity (or photostability) of g-C3N4/BiOCl were investigated in depth as well. Quantum chemical calculations revealed that the photoactivity enhancement is strongly dependent on the active role played by the frontier orbital energy levels of dye molecules and a probable correlation of "structure-activity" relationship was established.

KW - BiOCl

KW - Frontier orbital energy

KW - G-CN

KW - Gaussian 03 program

KW - Hybrid photocatalyst

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