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 L-2,L-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.
Original language | English |
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Pages (from-to) | 235419-1-235419-7 |
Journal | Physical Review B (Condensed Matter and Materials Physics) |
Volume | 71 |
Issue number | 23 |
DOIs | |
Publication status | Published - 2005 |
Bibliographical note
The information about affiliations in this record was updated in December 2015.The record was previously connected to the following departments: Chemical Physics (S) (011001060)
Subject classification (UKÄ)
- Atom and Molecular Physics and Optics