2026-10-12T08:29:46Zhttps://www.radar-service.eu/oai/OAIHandler

10.35097/55853f8gc1b5xbu82026-10-09T10:58:00Zradar4kit

https://dx.doi.org/10.35097/55853f8gc1b5xbu8 Oppel, Niklas Savintseva, Liana Röse, Philipp Kastlunger, Georg Studt, Felix Krewer, Ulrike Mechanistic Insights into Zn-Promoted CO₂ Electroreduction on α-CuZn Alloys in Aprotic Media_early version Karlsruhe Institute of Technology 2026 Engineering dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 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 application/x-tar