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Alloying as a strategy to boost the stability of Copper nanocatalysts during electrochemical CO₂ reduction reaction

Valery Okatenko1, Anna Loiudice1, Mark A. Newton1, Dragos C. Stoian2, Anastasia Blokhina1, Alexander N. Chen1, Kevin Rossi1, Raffaella Buonsanti1*

1 Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Valais, Switzerland

2 Swiss-Norwegian Beamline European Synchrotron Radiation Facility

* Corresponding authors emails: Raffaella.buonsanti@epfl.ch
DOI10.24435/materialscloud:ft-s8 [version v1]

Publication date: Jan 06, 2023

How to cite this record

Valery Okatenko, Anna Loiudice, Mark A. Newton, Dragos C. Stoian, Anastasia Blokhina, Alexander N. Chen, Kevin Rossi, Raffaella Buonsanti, Alloying as a strategy to boost the stability of Copper nanocatalysts during electrochemical CO₂ reduction reaction, Materials Cloud Archive 2023.3 (2023), doi: 10.24435/materialscloud:ft-s8.


Cu nano catalysts are among the most promising candidates to enable the up-conversion of CO₂ by means of electrochemical reduction. Yet, the lack of stability of Cu nano catalysts during electrochemical CO₂ reduction reaction represents a strong limiting factor in enabling their widespread use at the industrial level. The record gathers data related to the theoretical evaluation of the stability and activity of Cu-rich nano catalysts, in the presence of a second metal, namely Ga, whose amount varies between 5% and 30%.

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8.1 KiB tar with example inputs + structures
186 Bytes readme file


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External references

Preprint (Paper under review - DOI/URL will be added upon acceptance)
V. Okatenko, A. Loiudice, M. A. Newton, D. Stoian, A. Blokhina, A. N. Chen, K. Rossi, R. Buonsanti


Cu co2rr DFT

Version history:

2023.3 (version v1) [This version] Jan 06, 2023 DOI10.24435/materialscloud:ft-s8