Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7
The photocatalytic ability of cubic Bi1.5ZnNb1.5O7 (BZN) pyrochlore for the decolorization of an acid orange 7 (AO7) azo dye in aqueous solution under ultraviolet (UV) irradiation has been investigated for the first time. BZN catalyst powders prepared using low temperature sol-gel and higher tempera...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2015-01-01
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| Series: | International Journal of Photoenergy |
| Online Access: | http://dx.doi.org/10.1155/2015/575376 |
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| author | Ganchimeg Perenlei Jose A. Alarco Peter C. Talbot Wayde N. Martens |
| author_facet | Ganchimeg Perenlei Jose A. Alarco Peter C. Talbot Wayde N. Martens |
| author_sort | Ganchimeg Perenlei |
| collection | DOAJ |
| description | The photocatalytic ability of cubic Bi1.5ZnNb1.5O7 (BZN) pyrochlore for the decolorization of an acid orange 7 (AO7) azo dye in aqueous solution under ultraviolet (UV) irradiation has been investigated for the first time. BZN catalyst powders prepared using low temperature sol-gel and higher temperature solid-state methods have been evaluated and their reaction rates have been compared. The experimental band gap energy has been estimated from the optical absorption edge and has been used as reference for theoretical calculations. The electronic band structure of BZN has been investigated using first-principles density functional theory (DFT) calculations for random, completely and partially ordered solid solutions of Zn cations in both the A and B sites of the pyrochlore structure. The nature of the orbitals in the valence band (VB) and the conduction band (CB) has been identified and the theoretical band gap energy has been discussed in terms of the DFT model approximations. |
| format | Article |
| id | doaj-art-1b86583a5baf4b0d9e13ea4b5dc80df2 |
| institution | Kabale University |
| issn | 1110-662X 1687-529X |
| language | English |
| publishDate | 2015-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Photoenergy |
| spelling | doaj-art-1b86583a5baf4b0d9e13ea4b5dc80df22025-08-20T03:54:37ZengWileyInternational Journal of Photoenergy1110-662X1687-529X2015-01-01201510.1155/2015/575376575376Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7Ganchimeg Perenlei0Jose A. Alarco1Peter C. Talbot2Wayde N. Martens3Chemistry, Physics and Mechanical Engineering School, Science and Engineering Faculty, Queensland University of Technology, Brisbane, QLD 4001, AustraliaChemistry, Physics and Mechanical Engineering School, Science and Engineering Faculty, Queensland University of Technology, Brisbane, QLD 4001, AustraliaChemistry, Physics and Mechanical Engineering School, Science and Engineering Faculty, Queensland University of Technology, Brisbane, QLD 4001, AustraliaChemistry, Physics and Mechanical Engineering School, Science and Engineering Faculty, Queensland University of Technology, Brisbane, QLD 4001, AustraliaThe photocatalytic ability of cubic Bi1.5ZnNb1.5O7 (BZN) pyrochlore for the decolorization of an acid orange 7 (AO7) azo dye in aqueous solution under ultraviolet (UV) irradiation has been investigated for the first time. BZN catalyst powders prepared using low temperature sol-gel and higher temperature solid-state methods have been evaluated and their reaction rates have been compared. The experimental band gap energy has been estimated from the optical absorption edge and has been used as reference for theoretical calculations. The electronic band structure of BZN has been investigated using first-principles density functional theory (DFT) calculations for random, completely and partially ordered solid solutions of Zn cations in both the A and B sites of the pyrochlore structure. The nature of the orbitals in the valence band (VB) and the conduction band (CB) has been identified and the theoretical band gap energy has been discussed in terms of the DFT model approximations.http://dx.doi.org/10.1155/2015/575376 |
| spellingShingle | Ganchimeg Perenlei Jose A. Alarco Peter C. Talbot Wayde N. Martens Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7 International Journal of Photoenergy |
| title | Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7 |
| title_full | Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7 |
| title_fullStr | Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7 |
| title_full_unstemmed | Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7 |
| title_short | Electronic Structure Studies and Photocatalytic Properties of Cubic Bi1.5ZnNb1.5O7 |
| title_sort | electronic structure studies and photocatalytic properties of cubic bi1 5znnb1 5o7 |
| url | http://dx.doi.org/10.1155/2015/575376 |
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