Advanced

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

Richter, J H; Henningsson, A; Sanyal, B; Karlsson, P G; Andersson, M P; Uvdal, Per LU ; Siegbahn, H; Eriksson, O and Sandell, A (2005) In Physical Review B (Condensed Matter and Materials Physics) 71(23). p.1-235419
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... (More)
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. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
71
issue
23
pages
1 - 235419
publisher
American Physical Society
external identifiers
  • wos:000230276800108
  • scopus:28344435932
ISSN
1098-0121
DOI
10.1103/PhysRevB.71.235419
language
English
LU publication?
yes
id
70982955-7fb3-4391-87a5-23d7cf64eeb9 (old id 151890)
date added to LUP
2007-07-03 16:16:31
date last changed
2017-10-22 04:47:43
@article{70982955-7fb3-4391-87a5-23d7cf64eeb9,
  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.},
  author       = {Richter, J H and Henningsson, A and Sanyal, B and Karlsson, P G and Andersson, M P and Uvdal, Per and Siegbahn, H and Eriksson, O and Sandell, A},
  issn         = {1098-0121},
  language     = {eng},
  number       = {23},
  pages        = {1--235419},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles},
  url          = {http://dx.doi.org/10.1103/PhysRevB.71.235419},
  volume       = {71},
  year         = {2005},
}