Published June 25, 2021 | Version v1
Software Open

Model for Acetate Selectivity & CO(2)RR data sets

Creators

  • 1. Department of Physics, Technical University of Denmark, DK-2800, Kgs. Lyngby, Denmark
  • 2. Center for Catalytic Science and Technology, Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, DE, USA
  • 3. SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA

Description

This collection contains code and data related to the publication "Mechanism for acetate formation in CO(2) reduction on Cu: Selectivity trends with pH and nanostructuring derive from mass transport" and contains:

  1. `model_acetate_selectivity` a python package for a coupled kinetic and transport model and corresponding DFT data to describe acetate selectivity among C2 products in CORR on Cu catalysts

  2. `experimental_data_Fig1` a collection of digitized data of CO(2)RR on Cu catalysts

Notes

Financial support was provided by V- Sustain: The VILLUM Centre for the Science of Sustainable Fuels and Chemicals (#9455) from VILLUM FONDEN. The authors at the University of Delaware thank the National Science Foundation for financial support (Award No. CBET-1904966).

Files

Files (620.3 kB)

Name Size Download all
md5:7bae1b590393fc90e680d070a5f135d7
620.3 kB Download

Additional details

Funding

SELECTCO2 – Selective Electrochemical Reduction of CO2 to High Value Chemicals 851441
European Commission