Extended Data Fig. 6: Calculated electronic structures of NAMC with a planer model structure using HSE06 functional. | Nature

Extended Data Fig. 6: Calculated electronic structures of NAMC with a planer model structure using HSE06 functional.

From: Nitrogen-doped amorphous monolayer carbon

Extended Data Fig. 6: Calculated electronic structures of NAMC with a planer model structure using HSE06 functional.

a, Density of states. There is a pseudo-gap of 0.4 eV between the highest occupied molecule orbital (HOMO) and the lowest unoccupied molecule orbital (LUMO). b, c, Illustration of HOMO (b) and LUMO (c), respectively. The size of the model structure is about 20 Å × 20 Å, consisting of the 5-, 6- and 7- rings. The isosurface is 0.0015 e/Å3. H: white, C: brown, N: blue.

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