| Charge redistribution mechanisms of ceria reduction. | |
| | |
MedLine Citation:
|
PMID: 22540715 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
|
Charge redistribution at low oxygen vacancy concentrations in ceria have been studied in the framework of the density functional theory. We propose a model to approach the dilute limit using the results of supercell calculations. It allows one to reproduce the characteristic experimentally observed behavior of composition versus oxygen pressure dependency. We show that in the dilute limit the charge redistribution is likely to be driven by a mechanism different from the one involving electron localization on cerium atoms. We demonstrate that it can involve charge localization on light element impurities. |
| | |
Authors:
|
O Hellman; N V Skorodumova; S I Simak |
Related Documents
:
|
22612055 - Stability and spectroscopic properties of singly and doubly charged anions. 21844595 - Picoscale science and nanoscale engineering by electron microscopy. 22680745 - Tunable kondo effect in a double quantum dot coupled to ferromagnetic contacts. 22572475 - Monte carlo simulation on a gold nanoparticle irradiated by electron beams. 2543995 - An esr study of the visible light photochemistry of gilvocarcin v. 19905745 - Constraining the energy-momentum dispersion relation with planck-scale sensitivity usin... |
Publication Detail:
|
Type: Journal Article Date: 2012-03-30 |
Journal Detail:
|
Title: Physical review letters Volume: 108 ISSN: 1079-7114 ISO Abbreviation: Phys. Rev. Lett. Publication Date: 2012 Mar |
Date Detail:
|
Created Date: 2012-04-30 Completed Date: - Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 0401141 Medline TA: Phys Rev Lett Country: United States |
Other Details:
|
Languages: eng Pagination: 135504 Citation Subset: IM |
Affiliation:
|
Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83, Linköping, Sweden. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: Rapid nondestructive analysis of threading dislocations in wurtzite materials using the scanning ele...
Next Document: Noncontact friction and relaxational dynamics of surface defects.