Fig. shows the reaction mechanism and associated bias landscape. According to these simulations the first step of SV formation is the hydrogenation of a Graphene atom from the deprotonation of a methanol molecule (I-II). The reaction then proceeds via the deprotonation of a second methanol molecule, followed by the formation of an unstable intermediate (III * ) featuring a SV and an out-of-plane carbon atom triple-functionalized by two -H and one -OCH 3 groups. The process terminates with the dehydrogenation of the triple-functionalized carbon atom by a methanoate molecule, leading to the product (structure III).