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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-1-273
This dataset derived results are published in:
Manuscript title: Influence of Cations on HCOOH and CO Formation during CO2 Reduction on a PdMLPt(111) Electrode
Journal: JACS
DOI: 10.1021/jacs.3c03786
View as
- ROOT
- Bulk
- CO2-activation-3H2O
- CO2-activation-5H2O
- HCOO-stabilization
- hydride-formation
- hydride-formation-HC
- outer-shell-CO2-activation
Discover
Subject
- 65 Alkali cation
- 65 Carbon monoxide
- 65 Cation
- 65 Electrochemical CO₂ reduction
- 65 Formate
- 65 Formic acid
- 65 Nucleophilic attack
- 65 Pd
- 65 PdMLPt
- 65 Pt
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Program name
- 65 vasp
Calculation type
Method
- 65 DFT