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

doi:10.1063/1.4902994

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

Department of Physics

Research output: Contribution to journal › Article › peer-review

10 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 language	English
Article number	221605
Journal	Applied Physics Letters
Volume	105
Issue number	22
DOIs	https://doi.org/10.1063/1.4902994
Publication status	Published - 2014 Dec 1

Bibliographical note

Publisher Copyright:
© 2014 AIP Publishing LLC.

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

Access to Document

10.1063/1.4902994

Cite this

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

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.",

author = "Inci Ruzybayev and Baik, {Seung Su} and Rumaiz, {Abdul K.} and Sterbinsky, {G. E.} and Woicik, {J. C.} and Choi, {Hyoung Joon} and {Ismat Shah}, S.",

note = "Publisher Copyright: {\textcopyright} 2014 AIP Publishing LLC.",

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AU - Ruzybayev, Inci

AU - Baik, Seung Su

AU - Rumaiz, Abdul K.

AU - Sterbinsky, G. E.

AU - Woicik, J. C.

AU - Choi, Hyoung Joon

AU - Ismat Shah, S.

PY - 2014/12/1

Y1 - 2014/12/1

N2 - 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.

AB - 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.

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