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Manuscript title: Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction

Journal: Chemical Science Chem. Sci.

DOI: 10.1039/D2SC00890D

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DC FieldValueLanguage
dc.contributor.authorCiotti, Anna-
dc.contributor.authorSahm, Constantin-
dc.contributor.authorBadiani, Vivek-
dc.contributor.authorSokołowski, Kamil-
dc.contributor.authorNeri, Gaia-
dc.contributor.authorCowan, Alexander-
dc.contributor.authorReisner, Erwin-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2022-04-13T10:36:34Z-
dc.date.available2022-04-13T10:36:34Z-
dc.date.created2022-04-13T12:36:32.216+02:00-
dc.date.issued2022-04-13T12:36:32.216+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/215746-
dc.descriptionOptimization of the bidentate adsorption of HexDT on the ZnSe QD in absence of the NiCycP cocatalyst.-
dc.publisherTrinity College Dublin-
dc.publisherTrinity College Dublin-
dc.publisherTrinity College Dublin-
dc.relationOriginal title: Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction DOI: 10.1039/D2SC00890D Journal: Chemical Science Chem. Sci.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-131-
dc.relation.urihttp://dx.doi.org/10.1039/D2SC00890D-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/adsorption/dithiols/hexdt/hexdt_znse/bidentate hexdt_bidentate-
dc.typedataset-
dc.date.updated2022-04-13T10:36:34Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Dec 13 2018 10:28:32) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-264.98781976en
cml.energy.unitseVen
cml.formula.genericC6H14Se24S2Zn24en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:dithiols_project - DOI: 10.19061/iochem-bd-6-131



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/215746

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