Katalysatorforschung: Molekulare Sonden erfordern hochgenaue Rechnungen

  • Autor:

    Pablo G. Lustemberg, Philipp Pleßow, Yuemin Wang, Chengwu Yang, Alexei Nefedov, Felix Studt, Christof Wöll, and M. Verónica Ganduglia-Pirovano: Vibrational Frequencies of Cerium-Oxide-Bound CO: A Challenge for Conventional DFT Methods. Physical Review Letters, 2020. DOI: 10.1103/PhysRevLett.125.256101. 

  • Quelle:

    Presseinformation 120/2020

  • Datum: 2020