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Manuscript title: Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide

Journal: PCCP

DOI: 10.1039/C8CP01930D

Full metadata record
DC FieldValueLanguage
dc.contributor.authorElbaz, Yuval-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2018-07-02T06:14:28Z-
dc.date.available2018-07-02T06:14:28Z-
dc.date.created2018-07-02T08:14:25.85+02:00-
dc.date.issued2018-07-02T08:14:25.85+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/192837-
dc.descriptionNEB calculation-
dc.publisherDivision of Chemistry, NRCN-
dc.publisherFritz Haber Research Center for Molecular Dynamics, Institute of Chemistry, Hebrew University of Jerusalem-
dc.publisherDepartment of Materials Science and Engineering, Technion - Israel Institute of Technology-
dc.relationOriginal title: Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide DOI: 10.1039/C8CP01930D Journal: PCCP*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Vacancy_NiOOH Vacancy_diffusion_in_NiOOH-
dc.typedataset-
dc.date.updated2018-07-02T06:14:28Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Sep 16 2013 14:52:01) complexen
cml.methodPBE+Uen
cml.shelltypeOpen shellen
cml.energy.value-232.27688712en
cml.energy.unitseVen
cml.formula.genericH11Ni12O24en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs10en
cml.hasmolecularorbitalsfalseen
Appears in Collections:H_Diffusion_in_nickel_oxy_hydroxide



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/192837

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