CO-coverage

Dataset associated with the article "Correlating the CO surface coverage on Cu nanocatalysts and their C-C coupling ability during the electrochemical reduction of CO₂ via Operando Raman spectroscopy"

CC-BY-4.0

The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-192

This dataset derived results are published in:

Manuscript title: Revealing the CO Coverage-Driven C−C Coupling Mechanism for Electrochemical CO₂ Reduction on Cu₂O Nanocubes via Operando Raman Spectroscopy

Journal: ACS Catal.

DOI: 10.1021/acscatal.1c01478

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/CO-frequencies Cu(100)-carbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--348.55420568; eV
thumbnail.jpeg/CO-frequencies Cu(100)-carbonate-bidentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--350.93523992; eV
thumbnail.jpeg/CO-frequencies Cu(100)-OH-hollow-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--331.55410729; eV
thumbnail.jpeg/CO-frequencies Cu(100)-carbonate-bidentate-50MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--98.34936210; eV
thumbnail.jpeg/CO-frequencies Cu(100)-bicarbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--354.13247509; eV
thumbnail.jpeg/CO-frequencies Cu(100)-bicarbonate-bidentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--354.89195828; eV
thumbnail.jpeg/CO-frequencies Cu(100)-OH-bridge-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--331.39232085; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H2O-hollow-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--334.88633942; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H2O-bridge-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--334.78470623; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H2O-top-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--335.01023699; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H-hollow-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--324.08541373; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H-bridge-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--323.99047767; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H-top-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--323.48616674; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H-hollow-100MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--21.28639069; eV
thumbnail.jpeg/CO-frequencies Cu(100)-H-top-100MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--20.55140143; eV
thumbnail.jpeg/CO-frequencies frq-Cu(100)-carbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--348.55413093; eV
thumbnail.jpeg/CO-frequencies frq-Cu(100)-carbonate-bidentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--350.93525094; eV
thumbnail.jpeg/CO-frequencies frq-Cu(100)-carbonate-bidentate-50MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--98.34928399; eV
thumbnail.jpeg/CO-frequencies frq-Cu(100)-bicarbonate-bidentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--354.89203635; eV
thumbnail.jpeg/CO-frequencies frq-Cu(100)-bicarbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--354.13251401; eV
Collection's Items (Sorted by in order): 1 to 20 of 267
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