Fig. 7
From: Semi-automated screening of azobezenes for solar energy storage using extended tight binding methods
Histograms displaying the distribution of key parameters from the xTB screening of the 185 azobenzene variants in the 99th percentile of SCE. Green represents storage energy, determined through GFN1-xTB optimization. Purple indicates back reaction barriers obtained from reaction path searches. Orange shows the wavelength of the reactant maximum absorption (in nm), and blue depicts the energy density results.
