posted on 2025-02-04, 13:07authored bySapajan Ibragimov, Andrey Lyalin, Sonu Kumar, Yuriko Ono, Tetsuya Taketsugu, Maciej Bobrowski
the energies and structures of the lowest-energy isomers of (Fe$_2$O$_3$)$_n$ ($n=1-4$) clusters, and the variation in the Gibbs free energy change with temperature for each dehydrogenation step.