Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles
(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:
https://lup.lub.lu.se/record/151890
- author
- Richter, J H ; Henningsson, A ; Sanyal, B ; Karlsson, P G ; Andersson, M P ; Uvdal, Per LU ; Siegbahn, H ; Eriksson, O and Sandell, A
- organization
- publishing date
- 2005
- 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
- additional info
- 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)
- id
- 70982955-7fb3-4391-87a5-23d7cf64eeb9 (old id 151890)
- date added to LUP
- 2016-04-01 17:00:15
- date last changed
- 2022-01-28 23:39:23
@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}},
doi = {{10.1103/PhysRevB.71.235419}},
volume = {{71}},
year = {{2005}},
}