Figure 2
Singlet-triplet energy (ST) gap of pure/Li-adsorbed n-acene as a function of the chain length, calculated using TAO-BLYP-D.
The inset shows a close-up view for the ST gap of Li-adsorbed n-acene.
Figure 2 | Scientific Reports
Singlet-triplet energy (ST) gap of pure/Li-adsorbed n-acene as a function of the chain length, calculated using TAO-BLYP-D.
The inset shows a close-up view for the ST gap of Li-adsorbed n-acene.
