Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles

J. H. Richter, A. Henningsson, B. Sanyal, P. G. Karlsson, M. P. Andersson, P. Uvdal, H. Siegbahn, O. Eriksson, and A. Sandell
Phys. Rev. B 71, 235419 – Published 28 June 2005

Abstract

The insertion of lithium in anatase TiO2 nanoparticles under ultrahigh vacuum (UHV) conditions is studied using x-ray absorption spectroscopy (XAS) and resonant photoelectron spectroscopy (RPES) at the Ti L2,3 edge. It is demonstrated that XAS can be used to monitor the separation into an anatase phase and a lithium titanate phase of formal stoichiometry Li0.5TiO2. The initial state properties of the Ti 3d states of the lithium titanate phase are investigated using ab initio electronic structure calculations. The calculations show a correlation driven separation of Ti 3d states from the conduction band in agreement with previous studies. It is shown that Ti in different oxidation states (Ti3+ and Ti4+) is formed as a direct consequence of the electron-electron interaction. RPES and XAS spectra confirm the presence of electronically inequivalent Ti sites. The site-sensitivity of the RPES spectra at selected electron binding energies is found to be consistent with the calculations.

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  • Received 15 October 2004

DOI:https://doi.org/10.1103/PhysRevB.71.235419

©2005 American Physical Society

Authors & Affiliations

J. H. Richter1, A. Henningsson1, B. Sanyal1, P. G. Karlsson1, M. P. Andersson2, P. Uvdal2, H. Siegbahn1, O. Eriksson1, and A. Sandell1,*

  • 1Department of Physics, Uppsala University, P.O. Box 530, S-751 21 Uppsala, Sweden
  • 2Chemical Physics, Department of Chemistry, Lund University, P.O. Box 124, S-221 00 Lund, Sweden

  • *Corresponding author. Email address: anders.sandell@fysik.uu.se; FAX: +46 18 4713524.

See Also

Electronic structure of lithium-doped anatase TiO2 prepared in ultrahigh vacuum

J. H. Richter, A. Henningsson, P. G. Karlsson, M. P. Andersson, P. Uvdal, H. Siegbahn, and A. Sandell
Phys. Rev. B 71, 235418 (2005)

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Vol. 71, Iss. 23 — 15 June 2005

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