Graphene spin density

HOMO-LUMO gap values for three sets of graphene nanodots, as calculated by the local spin density approximation [upper left panel), PBE functional [upper right panel), and the HSE functional [lower left panel) (Reprinted with permission from Hod et al. (2008). (2008) by the American Physical Society)... 

Plots of the spin density and electron density for the a-spin (up) and /3-spin (down) states in nanoscale graphene. For the spin density, different colors indicate the a- and /3-states, while for the electron density distribution (a- and /3-states) the different colors correspond to different signs of the molecular orbital lobes, (a) The electron density distribution in pure graphene, (b) The electron density distribution for graphene with adsorbed water (Reprinted with permission from Berashevich and Chakraborty (2009). (2009) by the American Physical Society)... 

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