Fig. 2: Electronic configuration and charge distribution of the catalysts.
From: Host-guest-induced electronic state triggers two-electron oxygen reduction electrocatalysis
The Kohn–Sham LUMOs, HOMOs, electrostatic potential surface maps, and the smallest areas of average local ionization energy of P-CN-TPB, P-CN-Ph, HG-CD-TPB, and HG-CD-Ph. Blue, brown, red, and white spheres represent the N, C, O, and H atoms, respectively.
