The synergetic effect of V and Fe-co-doping in TiO₂ studied from the DFT + U first-principle calculation

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• 作者：Baoshun Liu ; ^{liubaoshun@126.com} ; Xiujian Zhao
• 关键词：Titanium dioxide ; Photocatalysis ; First-principle calculation ; V-Fe co-doping ; Synergetic effect
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：31 March 2017
• 年：2017
• 卷：399
• 期：Complete
• 页码：654-662
• 全文大小：3495 K
• 卷排序：399

文摘

The effect of Fe and V doping on TiO2 structure was studied with DFT + U calculation. V and Fe co-doping affects the formation energies and electronic structure. V and Fe co-doping causes the synergetic effect on the optical properties.