Table 1 Adsorption energies computed with DFT of the three most stable configurations for each mode (planar, vertical, and side)

From: Vertically co-oriented two dimensional metal-organic frameworks for packaging enhanced supercapacitive performance

EPTA@C-planar (eV)

EPTA@C-vertical (eV)

EPTA@C-side (eV)

−13.7

−8.2*

−17.1†

−9.3†

−6.6*

−16.9†

−7.7*

−6.4*

−15.4

  1. The *, †, and represent that one, two, or four hydrogen atoms dissociated from the PTA molecules, respectively
Back to article page