Materials Research Meeting 2021

Presentation information

Poster Session

F. Zero Emission Technologies » [F-5] Design of Heterogeneous Catalysis

[F5-PR11] Slot 11

Mon. Dec 13, 2021 6:30 PM - 8:30 PM F5-PR11 (G403-404)

6:30 PM - 8:30 PM

[F5-PR11-13] Theoretical Exploration on the Relative Stabilities of Ni- and Cu-Based Alloys: Single-Atom Alloy vs. Phase-Separated Alloy

*Junqing Yin1, Masahiro Ehara1,2, Shigeyoshi Sakaki1 (1. Kyoto University (Japan), 2. Institute for Molecular Science (Japan))

Keywords:DFT, Ni-based alloy, Cu-based alloy, Single-atom alloy, Relative stability

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