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. 2023 Jun 1;11:1172687. doi: 10.3389/fchem.2023.1172687

FIGURE 7.

FIGURE 7

Free energy profiles for the consecutive dehydrogenation of CH3/Z1 + H/Z1 on the non-passivated edges of 12-ZGNR (upper panel). Lower panel: depiction of the stationary points presented in the reaction profile Gibbs free energy values are relative to methyl and hydrogen chemisorbed on Z1 sites. Reaction coordinate is in arbitrary units.