2026-07-06T12:41:43Zhttps://www.radar-service.eu/oai/OAIHandler10.35097/55853f8gc1b5xbu82026-06-29T13:28:54Zradar4kit
10.35097/55853f8gc1b5xbu8
Oppel, Niklas
Niklas
Oppel
0009-0005-3814-5621
Savintseva, Liana
Liana
Savintseva
0000-0001-5601-7459
Röse, Philipp
Philipp
Röse
0000-0001-6591-7133
Kastlunger, Georg
Georg
Kastlunger
Studt, Felix
Felix
Studt
Krewer, Ulrike
Ulrike
Krewer
0000-0002-5984-5935
Mechanistic Insights into Zn-Promoted CO₂ Electroreduction on α-CuZn Alloys in Aprotic Media_early version
Karlsruhe Institute of Technology
2026
2026
Engineering
Open Access
Creative Commons Attribution 4.0 International
Oppel, Niklas
0009-0005-3814-5621
Savintseva, Liana
0000-0001-5601-7459
Röse, Philipp
0000-0001-6591-7133
Kastlunger, Georg
Studt, Felix
Krewer, Ulrike
0000-0002-5984-5935
CO and CO₂ adsorption dataset containing optimized geometries, adsorption energies, and grand-canonical chemical potentials for CO and CO₂ on Cu and Cu₃Zn surfaces. All calculations were performed using VASPsol under applied surface charges to simulate electrochemical conditions.
Readme.md is included into the dataset.
This is an early version of "DFT Dataset: Mechanistic Insights into Zn-Promoted CO₂ Electroreduction on α-CuZn Alloys in Aprotic Media" DOI: 10.35097/849z87g5vsqt795j.
https://publikationen.bibliothek.kit.edu/1000189796
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