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Manuscript title: Absence of CO₂ electroreduction on copper, gold and silver electrodes without metal cations in solution

Journal: Nature Catalysis

DOI: 10.1038/s41929-021-00655-5

Full metadata record
DC FieldValueLanguage
dc.contributor.authorDattila, Federico-
dc.date.accessioned2021-02-16T22:38:49Z-
dc.date.available2021-07-10T14:35:15Z-
dc.date.created2021-02-16T23:38:45.45+01:00-
dc.date.issued2021-02-16T23:38:45.45+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/27857-
dc.descriptionCO₂ adsorption configuration for system au-H2O-CO2 at time 2901 fs; energy reference.-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Absence of CO₂ electroreduction on copper, gold and silver electrodes without metal cations in solution DOI: 10.1038/s41929-021-00655-5 Journal: Nature Catalysis*
dc.relation.urihttp://dx.doi.org/10.1038/s41929-021-00655-5*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectExplicit solvation-
dc.subjectCation-
dc.subjectGold-
dc.subjectAb initio molecular dynamics-
dc.subjectWater molecules-
dc.subjectAb initio calculations-
dc.subjectElectrochemical CO₂ reduction-
dc.title/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2901-fs-
dc.typedataset-
dc.date.updated2021-02-16T22:38:49Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-1402.31308672en
cml.energy.unitseVen
cml.formula.genericH144Au108O72en
cml.calculationtypeSingle pointen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Cation-effect-CO2-reduction - DOI: 10.19061/iochem-bd-1-194



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/27857

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