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Updated: Sep 6, 2025

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Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of

Yuanyuan Zhou1, Chunye Zhu1,2, Matthias Scheffler1

  • 1The NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society, Berlin-Dahlem 14195, Germany.

Physical Review Letters
|July 1, 2022
PubMed

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