Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 38, Issue 13, Pages 5209-5214Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2013.02.079
Keywords
TiO2; Codoped; Photocatalytic activity for hydrogen production; Density functional theory
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Funding
- National Natural Science Foundation of China [10647008, 50971099, 21176199]
- Research Fund for the Doctoral Program of Higher Education [20096101110017, 20096101110013]
- Natural Science Foundation of Shaanxi Province of China [2010JZ002, 2011JM1001]
- Northwest University of China [YZZ12082]
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The electronic and optical properties are studied using the density functional theory in (Si,Fe)-codoped anatase TiO2. The calculated results suggest that the synergistic effects of (Si,Fe) codoping can effectively induce the redshift of optical absorption edge, which leads to higher visible-light photocatalytic activity for hydrogen production by water splitting than pure anatase TiO2. To verify the reliability of our calculated results, nanocrystalline (Si,Fe)-codoped TiO2 is synthesized by a sol-gel-solvothermal method, and excellent absorption performance and photocatalytic activity for hydrogen production by water splitting are observed in our experiments. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
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