. 2022 Feb 1;12(7):3948–3956. doi: 10.1039/d1ra09153k

Calculated adsorption energies (E_ads, kcal mol⁻¹), charge-transfer (Q_CT, |e|) and desorption times (τ, s) per adsorbed 5FU molecule on AM/C₆₀ fullerenes in the gas phase.

Species	E _ads	Q _CT	τ
Li/C₆₀	−19.33	0.20	147.50
Na/C₆₀	−16.58	0.13	1.42
K/C₆₀	−14.07	0.08	0.02
Li₁₂/C₆₀	−16.06	0.16	0.59
Na₆/C₆₀	−14.69	0.09	0.06
K₆/C₆₀	−12.34	0.06	<0.01

Calculated adsorption energies (Eads, kcal mol−1), charge-transfer (QCT, |e|) and desorption times (τ, s) per adsorbed 5FU molecule on AM/C60 fullerenes in the gas phase.