However, for H adsorption, there is a notable discrepancy in the E ads predicted by the ANN potential, which is significantly more exothermic than those from our DFT calculation and literature values. This discrepancy could be due to the low accuracy of the ANN potential for pure 2D systems and predicting C-H bond lengths, as discussed in 0D systems. Therefore, the accuracy of the ANN potential needs to be improved to address accurately the binding strengths of the adsorbed H atom(s). It is also worth noting that accurately describing the interaction of H with graphene to obtain its E ads is a general challenge in modeling. As shown in Table , the summarized literature values for this system exhibit variability, ranging from -1.52 eV to -0.69 eV, depending on different models, DFT functionals, and basis sets. This variability indicates inherent challenges in achieving consistent results for H adsorption on graphene.