2026-10-10T03:35:56Zhttps://www.radar-service.eu/oai/OAIHandler

10.35097/17642026-10-09T10:48:09Zradar4kit

https://dx.doi.org/10.35097/1764 Marchuk, Vasyl Sharapa, Dmitry I. Grunwaldt, Jan-Dierk Doronkin, Dmitry E. Atomic coordinates of DFT-optimized Pt structures with O, N, and NHx species in surface or interstitial locations Karlsruhe Institute of Technology 2023 Chemistry dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode An archive with xyz-coordinates of atoms in 4-layer Pt(100) slabs and species present in their surface or interstitial locations under conditions of ammonia oxidation over Pt-based catalysts. The species enclosed are O, N, and NHx. The atomic coordinates of these structures were optimized by DFT and are available in txt format. application/x-tar