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Malki, B., Le Bacq, O., Pasturel, A. (2011) Ab initio study of hydrogen related defect in ZrO2: Consequences on dry and aqueous oxidation. Journal of Nuclear Materials, 416 (3). 362-368 doi:10.1016/j.jnucmat.2011.06.038

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Reference TypeJournal (article/letter/editorial)
TitleAb initio study of hydrogen related defect in ZrO2: Consequences on dry and aqueous oxidation
JournalJournal of Nuclear Materials
AuthorsMalki, B.Author
Le Bacq, O.Author
Pasturel, A.Author
Year2011 (September)Volume416
Issue3
PublisherElsevier BV
DOIdoi:10.1016/j.jnucmat.2011.06.038Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID4162120Long-form Identifiermindat:1:5:4162120:8
GUID0
Full ReferenceMalki, B., Le Bacq, O., Pasturel, A. (2011) Ab initio study of hydrogen related defect in ZrO2: Consequences on dry and aqueous oxidation. Journal of Nuclear Materials, 416 (3). 362-368 doi:10.1016/j.jnucmat.2011.06.038
Plain TextMalki, B., Le Bacq, O., Pasturel, A. (2011) Ab initio study of hydrogen related defect in ZrO2: Consequences on dry and aqueous oxidation. Journal of Nuclear Materials, 416 (3). 362-368 doi:10.1016/j.jnucmat.2011.06.038
In(2011, September) Journal of Nuclear Materials Vol. 416 (3) Elsevier BV

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Malki, B., Le Bacq, O., Pasturel, A. (2012) Role of water on the stability of oxygen vacancies in ZrO2: An ab initio based study. Journal of Nuclear Materials, 429 (1). 173-176 doi:10.1016/j.jnucmat.2012.05.030
Malki, B., Le Bacq, O., Pasturel, A., Baroux, B. (2014) Ab Initio Study of Water Related Defects in Cr2O3and the Consequences for the Stability of Passive Films of Stainless Steels. Journal of the Electrochemical Society, 161. doi:10.1149/2.0701410jes
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Lucazeau, G., Bouvier, P., Pasturel, A., Le Bacq, O., Pagnier, T. (2009) High-Pressure Study of Gd2(MoO4)3by Raman Scattering and Ab Initio Calculations. Acta Physica Polonica A, 116 (1). 25-31 doi:10.12693/aphyspola.116.25
Jakse, Noël, Bacq, Olivier Le, Pasturel, Alain (2007) Short-range order of liquid and undercooled metals: Ab initio molecular dynamics study. Journal of Non-Crystalline Solids, 353 (32) 3684-3688 doi:10.1016/j.jnoncrysol.2007.05.131
Le Bacq, O., Machon, D., Testemale, D., Pasturel, A. (2011) Pressure-induced amorphization mechanism in Eu2(MoO4)3. Physical Review B, 83 (21) doi:10.1103/physrevb.83.214101
Bacq, O. Le, Pasturel, A., Bengone, O. (2004) Impact on electronic correlations on the structural stability, magnetism, and voltage ofLiCoPO4battery. Physical Review B, 69 (24) doi:10.1103/physrevb.69.245107
Lopes, Denise Adorno, Claisse, Antoine, Olsson, Pär (2016) Ab-initio study of C and O impurities in uranium nitride. Journal of Nuclear Materials, 478. 112-118 doi:10.1016/j.jnucmat.2016.06.008
Jakse, N., Le Bacq, O., Pasturel, A. (2004) Prediction of the local structure of liquid and supercooled tantalum. Physical Review B, 70 (17) doi:10.1103/physrevb.70.174203
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Domain, Christophe (2006) Ab initio modelling of defect properties with substitutional and interstitials elements in steels and Zr alloys. Journal of Nuclear Materials, 351 (1). 1-19 doi:10.1016/j.jnucmat.2006.02.025
 
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