Synergistic effects of codopants on photocatalytic O₂ evolution in BiVO₄

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• 作者：Kangrong Lai ; Yingtao Zhu ; Jibao Lu ; Ying Dai ; Baibiao Huang
• 关键词：Photocatalysis ; BiVO4 ; Codoping effect ; Water splitting
• 刊名：Solid State Sciences
• 出版年：2013
• 出版时间：October, 2013
• 年：2013
• 卷：24
• 期：Complete
• 页码：79-84
• 全文大小：1177 K

文摘

The electronic structures and related properties of N- and M (M?=?Cr, Mo) doped BiVO₄ are investigated by means of first-principles calculations. The synergistic codoping effects of N and M on photocatalytic O₂ evolution in BiVO₄ are studied. Our results demonstrate that the band gap of N/Cr- and N/Mo-codoped BiVO₄ are reduced by about 0.34 and 0.15?eV compared with undoped system, respectively, with the redox potential still locating at a level suitable for O₂ evolution, which results in the response of visible light enhancement and the production of O₂ evolution improvement of BiVO₄ under visible light. The energy calculations indicate that the introduction of M in BiVO₄ favors incorporation of N and the codoped material is more stable.