Template-confined growth of X-Bi2MoO6 (X: F, Cl, Br, I) nanoplates with open surfaces for photocatalytic oxidation; experimental and DFT insights of the halogen doping. (15th January 2020)

• Record Type: Journal Article
• Authors: Khazaee, Zeynab; Khavar, Amir Hossein Cheshme; Mahjoub, Ali Reza; Motaee, Ali; Srivastava, Varsha; Sillanpää, Mika
• Is Part Of: Solar energy. Volume 196(2020)
• Page Start: 567
• Page End: 581
• Publication Date: 2020-01-15
• Subjects: Photocatalytic degradation -- Bi2MoO6 -- Halogen-doping -- Oxygen Vacancy -- CTAB assisted; BMO Bi2MoO6 -- BQ p-benzoquinone -- IPA Isopropanol -- EDTA-Na Ethylenediaminetetraacetic acid disodium salt -- DFT density functional theory; Solar energy -- Periodicals; Solar engines -- Periodicals; 621.47
• DOI: 10.1016/j.solener.2019.12.061
• Languages: English
• ISSNs: 0038-092X

Abstract

Graphical abstract: Highlights: CTAB-assisted X-Bi2 MoO6 (X: F, Cl, Br, I) nanoplates prepared for photodegradation of RhB. X-doping causes a significant red-shift in the absorption edge of Bi2 MoO6 . The face-inhibitor function of CTAB in 2D Bi2 MoO6 changed the growth of crystals. DFT calculations revealed VB and CB is composed of O 2 p and Mo 4 d states. Photocatalytic efficiency of F-BMO was stronger than that of other X-doped catalysts. Abstract: The present work describes a series of two-dimensional architecture of CTAB-assisted X-Bi2 MoO6 (X: F, Cl, Br, I) with open surfaces for adsorption and photodegradation of RhB. The effects of Halogen-doping and surfactant on the physicochemical properties of Bi2 MoO6 are investigated by different analysis. Based on the XRD patterns, the crystal planes of Bi2 MoO6 were affected by the substitution of X − anions for the host O 2− (mainly by F − ). FESEM images confirmed the confined growth of nanoplates under the influence of CTAB template, which leads to surface doping of more halogen ions within oriented nucleation process. The results indicated all of the X-doped catalysts, especially F-doped sample, show enhanced photocatalytic activity with different levels, due to lower band gap, improved charge separation, and surface properties. The results from density functional theory (DFT) calculations revealed in all the X-Bi2 MoO6 cases, the valance band maximum and conduction band minimum is mostly composed of O 2 p and Mo 4 d states, and the gaps decrease with the insertion of halogen atoms, which are in excellent agreement with experimental data. The study of the template-confined Halogen-doped Bi2 MoO6 may furnish new perspective into the fabrication of a series of photocatalysts with better light-harvesting capacity in a sustainable manner.