Soft electronic structure modulation of surface (thin-film) and bulk (ceramics) morphologies of TiO₂-host by Pb-implantation: XPS-and-DFT characterization

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• 作者：D.A. Zatsepin^a ; ^b ; D.W. Boukhvalov^c ; ^d ; ^{danil@hanyang.ac.kr} ; N.V. Gavrilov^e ; A.F. Zatsepin^b ; V.Ya. Shur^f ; A.A. Esin^f ; S.S. Kim^g ; E.Z. Kurmaev^a ; ^b
• 关键词：Titanium dioxide ; Ion implantation ; Lead ; DFT modeling ; Bandgap
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：1 April 2017
• 年：2017
• 卷：400
• 期：Complete
• 页码：110-117
• 全文大小：2197 K
• 卷排序：400

文摘

Experiment and theory demonstrate significant difference between patterns of Pb-ion implantation in TiO2. In bulk TiO2 Pb-impurities leads formation of PbO phase. On the surface of TiO2:Pb occur formation of PbxOy configurations. In both bulk and surface TiO2:Pb occur decreasing of the bandgap by shift of valence band about 1 eV up.