Figure 3.
(a–c) Hydrogen bonding interactions (blue dashed lines) in the (a,b) GO/rutile (110) and (c) 12H-RGO/rutile (110) (CL) composites, visualized with a maximum distance cutoff of 3 Å and maximum O–H···O bond angle deviations of (a,c) 20° and (b) 50° from the ideal value of 180°. (d) Isosurface of the electron density difference upon formation of the cross-linked 12H-RGO/rutile (110) composite shown in panel (c), calculated using the HSE06 functional (rendered at 0.001 eÅ−3). Charge depletion is shown in yellow, and charge accumulation is shown in blue.