Electronic Properties and Lattice Dynamics of Li_xCoO₂ and Na_xCoO₂ (x = 0, 0.5, 1) Studied by Hybrid Density Functional Theory

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• Finished

  ATOM-THERMOX: Atomistic Thermal Engineering of Metal Oxides (ATOM-THERMOX)

  Karttunen, A. (Principal investigator), Albrecht, E. (Project Member), Linnera, J. (Project Member), Mattila, N. (Project Member), Conley, K. (Project Member), Hellsten, N. (Project Member), Eklund, K. (Project Member) & Kuklin, M. (Project Member)

  01/09/2018 → 31/08/2022

  Project: Academy of Finland: Other research funding

  • Density Functional Theory 100%
  • Density 93%
  • Hybrid 80%
  • Metal Oxide 74%
  • Thermal Conductivity 74%

• TEOX / Karttunen

  Karttunen, A. (Principal investigator), Mattila, N. (Project Member) & Eklund, K. (Project Member)

  01/09/2015 → 31/08/2019

  Project: Academy of Finland: Other research funding

  • Density Functional Theory 100%
  • Electronic Property 50%
  • Thermal Conductivity 50%
  • Hybrid 50%
  • Lattice Dynamics 50%