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10NNPs.zipDownload
finalDataset.data.bz2Download
input.lammpsDownload
structure.lammpsDownload
multistep.cifDownload
structure.lammpstrj.zipDownload
output.cmlDownload
Referenced by:

Manuscript title: Manuscript title: Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts

Journal: Nature Catalysis

DOI: 10.1038/s41929-024-01132-5

Full metadata record
DC FieldValueLanguage
dc.contributor.authorLian, Zan-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2024-04-19T08:47:51Z-
dc.date.available2024-04-19T08:47:51Z-
dc.date.created2024-04-19T10:47:40.252+02:00-
dc.date.issued2024-04-19T10:47:40.252+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/320165-
dc.descriptionFind the dataset and NNPs in Download, the models work as a placeholder.-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Manuscript title: Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts DOI: 10.1038/s41929-024-01132-5 Journal: Nature Catalysis-
dc.relation.urihttp://dx.doi.org/10.1038/s41929-024-01132-5-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlefinal_dataset_and_10_NNPs-
dc.typedataset-
dc.date.updated2024-04-19T08:47:50Z-
cml.program.nameLAMMPSen
cml.program.version29 Sep 2021 - Update 3en
cml.formula.genericCu3240Oen
cml.calculationtypeMolecular Dynamicsen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:NNP_Cu_O - DOI: 10.19061/iochem-bd-6-228



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/320165

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