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铕/硅共掺杂锐钛矿型二氧化钛光催化剂的电子和光学性质

The electronic and optical properties of Eu/Si-codoped anatase TiO(2) photocatalyst.

作者信息

Lin Yanming, Jiang Zhenyi, Hu Xiaoyun, Zhang Xiaodong, Fan Jun

出版信息

Appl Phys Lett. 2012 Mar 5;100(10):102105-1021054. doi: 10.1063/1.3692750. Epub 2012 Mar 6.

DOI:10.1063/1.3692750
PMID:22454553
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3311668/
Abstract

The electronic and optical properties of Eu/Si-codoped anatase TiO(2) are investigated using the density functional theory. The calculated results show that the synergistic effects of Eu/Si codoping can effectively extend the optical absorption edge, which can lead to higher visible-light photocatalytic activities than pure anatase TiO(2). To verify the reliability of our calculated results, nanocrystalline Eu/Si-codoped TiO(2) is prepared by a sol-gel-solvothermal method, and the experimental results also indicate that the codoping sample exhibits better absorption performance and higher photocatalytic activities than pure TiO(2).

摘要

采用密度泛函理论研究了铕/硅共掺杂锐钛矿型TiO₂的电子和光学性质。计算结果表明，铕/硅共掺杂的协同效应能有效扩展光吸收边，这使得其可见光光催化活性高于纯锐钛矿型TiO₂。为验证计算结果的可靠性，采用溶胶-凝胶-溶剂热法制备了纳米晶铕/硅共掺杂TiO₂，实验结果也表明，共掺杂样品比纯TiO₂表现出更好的吸收性能和更高的光催化活性。