DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria

We perform density functional calculations using the program WIEN2K in order to study oxygen vacancies in rare earth doped ceria. The calculation for all rare earth elements were prepared, however only those foe Cadmium and Europium were performed due to lack of time. Also a short description of my...

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Detalles Bibliográficos
Autor principal: Khalife, Ali Rida
Lenguaje:eng
Publicado: 2014
Materias:
Chemical Physics and Chemistry
Computing and Computers
Acceso en línea:http://cds.cern.ch/record/1752600
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author Khalife, Ali Rida
author_facet Khalife, Ali Rida
author_sort Khalife, Ali Rida
collection CERN
description We perform density functional calculations using the program WIEN2K in order to study oxygen vacancies in rare earth doped ceria. The calculation for all rare earth elements were prepared, however only those foe Cadmium and Europium were performed due to lack of time. Also a short description of my stay at CERN was presented
id cern-1752600
institution Organización Europea para la Investigación Nuclear
language eng
publishDate 2014
record_format invenio
spelling cern-17526002019-09-30T06:29:59Zhttp://cds.cern.ch/record/1752600engKhalife, Ali RidaDFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceriaChemical Physics and ChemistryComputing and ComputersWe perform density functional calculations using the program WIEN2K in order to study oxygen vacancies in rare earth doped ceria. The calculation for all rare earth elements were prepared, however only those foe Cadmium and Europium were performed due to lack of time. Also a short description of my stay at CERN was presentedCERN-STUDENTS-Note-2014-157oai:cds.cern.ch:17526002014-08-30
spellingShingle Chemical Physics and Chemistry
Computing and Computers
Khalife, Ali Rida
DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria
title DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria
title_full DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria
title_fullStr DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria
title_full_unstemmed DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria
title_short DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria
title_sort dft calculations using wien2k to determine oxygen defect structure of rare earth doped ceria
topic Chemical Physics and Chemistry
Computing and Computers
url http://cds.cern.ch/record/1752600
work_keys_str_mv AT khalifealirida dftcalculationsusingwien2ktodetermineoxygendefectstructureofrareearthdopedceria

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