Figure 8.

(a) Relaxed geometries of physisorbed (left) and two different covalently bound thiobarbituric acid (TBA) tautomers (middle and right). (b) XPS spectra of TBA-functionalized and unmodified MoS₂. (c) LSV curves of MoS₂ materials on GC at pH = 0. (d) Differential adsorption free energy of hydrogen on the edge of 1T-MoS₂ and MoS₂-TBA at 6% (low density) and 25% (high density, similar to a value determined by XPS) of TBA molecules with respect to surface S atoms. Reproduced with permission from Ref. 22. Copyright © 2017, American Chemical Society.