Investigation of visible-light absorption in Cu₂O/TiO₂ heterojunctions with an interstitial at the interface

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• 作者：Lei Li ; Wenshi Li ; Jianfeng Yang and Ling-Feng Mao
• 刊名：physica status solidi (b)
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：254
• 期：2
• 全文大小：2690K
• ISSN：1521-3951

文摘

The effect of Cu/O/Ti interstitials on the visible-light absorption in Cu₂O/TiO₂ heterojunctions has been investigated by ab initio methods. The three interstitials are, respectively, doped at the interface of the Cu₂O/TiO₂ heterojunctions. The Ti interstitial efficiently improves the visible-light absorption, whereas the O interstitial reduces the visible-light absorption. An independent characteristic of the visible-light absorption is found for doping with the Cu interstitial. These phenomena originate from the different concentrations of delocalized electrons induced by the doping atom. The doping with Ti atoms could induce the aggregation of Cu ions, which release more delocalized electrons and so improve the visible-light absorption in a Cu₂O/TiO₂ heterojunction.