Electronic structure of C and N co-doped TiO2: A combined hard x-ray photoemission spectroscopy and density functional theory study

Inci Ruzybayev, Seung Su Baik, Abdul K. Rumaiz, G. E. Sterbinsky, J. C. Woicik, Hyoung Joon Choi, S. Ismat Shah

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We have studied the electronic structure of C and N co-doped TiO2 using hard x-ray photoelectron spectroscopy and first-principles density functional theory calculations. Our results reveal overlap of the 2p states of O, N, and C in the system which shifts the valence band maximum towards the Fermi level. Combined with optical data we show that co-doping is an effective route for band gap reduction in TiO2. Comparison of the measured valence band with theoretical photoemission density of states reveals the possibility of C on Ti and N on O site.

Original languageEnglish
Article number221605
JournalApplied Physics Letters
Volume105
Issue number22
DOIs
Publication statusPublished - 2014 Dec 1

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photoelectric emission
density functional theory
electronic structure
spectroscopy
valence
x rays
x ray spectroscopy
routes
photoelectron spectroscopy
shift

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

Ruzybayev, Inci ; Baik, Seung Su ; Rumaiz, Abdul K. ; Sterbinsky, G. E. ; Woicik, J. C. ; Choi, Hyoung Joon ; Ismat Shah, S. / Electronic structure of C and N co-doped TiO2 : A combined hard x-ray photoemission spectroscopy and density functional theory study. In: Applied Physics Letters. 2014 ; Vol. 105, No. 22.
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Electronic structure of C and N co-doped TiO2 : A combined hard x-ray photoemission spectroscopy and density functional theory study. / Ruzybayev, Inci; Baik, Seung Su; Rumaiz, Abdul K.; Sterbinsky, G. E.; Woicik, J. C.; Choi, Hyoung Joon; Ismat Shah, S.

In: Applied Physics Letters, Vol. 105, No. 22, 221605, 01.12.2014.

Research output: Contribution to journalArticle

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AU - Ruzybayev, Inci

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AU - Choi, Hyoung Joon

AU - Ismat Shah, S.

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