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Manuscript title: Origin of the Selective Electroreduction of Carbon Dioxide to Formate by Chalcogen Modified Copper

Journal: J. Phys. Chem. Lett.

DOI: 10.1021/acs.jpclett.8b03212

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DC FieldValueLanguage
dc.contributor.authorGarcía Muelas, Rodrigo-
dc.date.accessioned2018-08-03T13:11:30Z-
dc.date.available2018-12-12T10:25:33Z-
dc.date.created2018-08-03T15:11:29.426+02:00-
dc.date.issued2018-08-03T15:11:29.426+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/12469-
dc.descriptionH₂O· on Cu(100)-Se-
dc.publisherETH Zurich-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Origin of the Selective Electroreduction of Carbon Dioxide to Formate by Chalcogen Modified Copper DOI: 10.1021/acs.jpclett.8b03212 Journal: J. Phys. Chem. Lett.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-92-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectElectrochemistry-
dc.subjectFormic acid-
dc.subjectCopper-
dc.subjectReduction-
dc.subjectCarbon dioxide-
dc.subjectFormate-
dc.subjectHeterogeneous catalysis-
dc.subjectSelectivity switch-
dc.subjectChalcogens-
dc.subjectCarbon monoxide-
dc.titleCu(100)-Se-H₂O-
dc.typedataset-
dc.date.updated2018-08-03T13:11:30Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-340.78554950en
cml.energy.unitseVen
cml.formula.genericH2Cu90OSeen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:redCO2 - DOI: 10.19061/iochem-bd-1-92



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/12469

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