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Lee, Jae Sung
Eco-friendly Catalysis and Energy Lab
Research Interests
  • Photocatalytic water splitting, artificial photosynthesis, fuel cells, heterogeneous catalysis

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Electronic band structure and photocatalytic activity of Ln(2)Ti(2)O(7) (Ln = La, Pr, Nd)

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Title
Electronic band structure and photocatalytic activity of Ln(2)Ti(2)O(7) (Ln = La, Pr, Nd)
Other Titles
Electronic band structure and photocatalytic activity of Ln(2)Ti(2)O(7) (Ln = La, Pr, Nd)
Author
Hwang, Dong WonLee, Jae SungLi, WeiOh, Se Hyuk
Keywords
WATER; DECOMPOSITION; H-2; O-2
Issue Date
2003-05
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF PHYSICAL CHEMISTRY B, v.107, no.21, pp.4963 - 4970
Abstract
Photocatalytic activity in the water splitting of Ln(2)Ti(2)O(7) (Ln = La, Pr, Nd) with a layered structure was highly dependent on their electronic band structure. The conduction band of La2Ti2O7 consisted mainly of Ti 3d and La 5d, whereas the valence band consisted mainly of O 2p and Ti 3d. The empty La 4f level was found to be located ca. 3.6 eV above the bottom of the conduction band from both the electronic band-structure calculation and the XPS measurement. The occupied and unoccupied Ln 4f level in Ln(2)Ti(2)O(7) was shifted to lower energy as the number of 4f electrons increased. This shift of the Ln 4f band made it possible for the band-gap energy of both Pr2Ti2O7 and Nd2Ti2O7 to be decreased. For Nd2Ti2O7, the unoccupied Nd 4f level located between the conduction band and the valence band was found to be detrimental to photocatalytic activity in water splitting because it could act as an electron-trapping site
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DOI
10.1021/jp034229n
ISSN
1520-6106
Appears in Collections:
ECHE_Journal Papers
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