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Manuscript title: Surface Refaceting Mechanism on Cubic Ceria

Journal: J. Phys. Chem. Lett.

DOI: 10.1021/acs.jpclett.0c02409

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DC FieldValueLanguage
dc.contributor.authorCapdevila-Cortada, Marçal-
dc.date.accessioned2018-11-05T08:48:06Z-
dc.date.available2020-09-04T10:13:30Z-
dc.date.created2018-11-05T09:48:02.649+01:00-
dc.date.issued2018-11-05T09:48:02.649+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/13837-
dc.descriptionCeO4-t: Ce3+−Ce4+ next to Vo-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Surface Refaceting Mechanism on Cubic Ceria DOI: 10.1021/acs.jpclett.0c02409 Journal: J. Phys. Chem. Lett.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-104-
dc.relation.urihttp://dx.doi.org/10.1021/acs.jpclett.0c02409*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title15-
dc.typedataset-
dc.date.updated2018-11-05T08:48:06Z-
cml.program.namevaspen
cml.program.version5.3.5en
cml.program.other31Mar14 (build May 07 2014 17:30:20) gamma-onlyen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-1645.10092586en
cml.energy.unitseVen
cml.formula.genericCCe68O136en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:CO_on_ceria(100) - DOI: 10.19061/iochem-bd-1-104



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