ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
CONTCARDownload
INCARDownload
output.cmlDownload
Referenced by:

Manuscript title: Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction

Journal: Nature Catalysis

DOI: 10.1038/s41929-023-01070-8

Metadata:

Title: /intermediates-electric-field Cu(711)-1x6-2CuCO3-1-E-n03
Authors: Dattila, Federico
Keywords: Ligands
Electrochemistry
Electric field
Copper
Implicit solvation
Surface dissolution
Electrochemical CO₂ reduction
Explicit solvation
Bader analysis
Heterogeneous catalysis
Phenanthroline
Surface reconstruction
Issue Date: 14-Feb-2022
Publisher: Institute of Chemical Research of Catalonia
Description: DFT Energy: 2CuCO3 complex on Cu(711)-1x6, configuration 1, at applied electric field - 0.3 eV Å-1.
URI: https://iochem-bd.iciq.es/browse/handle/100/36583
Appears in Collections:Cu-dissolution - DOI: 10.19061/iochem-bd-1-231



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/36583

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License