The impact of doping on adsorption energy exhibits a strong correlation with the changes in molecule-sheet charge transfers, as highlighted by the comparable color distributions in Figures and. Consequently, increases in adsorption energy are typically accompanied by higher charge transfers, and weaker adsorption tends to result in lower transfers. Thus, doping with group 13-15 elements notably enhances charge transfer, while group 16 dopants have a comparatively less substantial effect. However, there are also few intriguing exceptions, such as the relatively low charge transfer observed for N-doped MoTe 2 compared to its adsorption energy. Moreover, Pb-and Bi-doped MoTe 2 and sheets doped with group 17 elements exhibit relatively high charge transfer compared to their adsorption energies.