Publications of the Chair for Theoretical Chemistry

Batterieforschung Publikationen |

The following publications of the Chair for Theoretical Chemistry are relevant in the field of battery research:

  • Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials
    H.H. Heenen, C. Scheurer, and K. Reuter, Nano Lett. 17, 3884 (2017).
    MORE / DOI: 10.1021/acs.nanolett.7b01400
  • Chemical Shift Reference Scale for Li Solid State NMR Derived by First-Principles DFT Calculations
    S.S. Köcher, P.P.M. Schleker, M.F. Graf, R.-A. Eichel, K. Reuter, J. Granwehr, and C. Scheurer, J. Mag. Res. 297, 33 (2018).
    MORE / DOI: 10.1016/j.jmr.2018.10.003