Adsorption of Trinitrotoluene on a MgO(001) Surface Including Surface Relaxation Effects
Figure 4
Electronic charge density of the systems adsorbed on the MgO surface with three layers, the uppermost fully relaxed. (a) Side view of Position 1; (b) side view of Position 2; (c) side view of Position 3; (d) side view of Position 4. Blue color indicates regions of charge accumulation while red ones indicate charge depletion.
