Our results (2.2-2.4 eV) indicate that B doping in CNT enhances the adsorption of Li and hence makes Li more positively charged (þ0.6 e) than on pure CNT (þ0.35 e using LDA20 and þ0.45 e using GGA21).
Our results (2.2-2.4 eV) indicate that B doping in CNT enhances the adsorption of Li and hence makes Li more positively charged (þ0.6 e) than on pure CNT (þ0.35 e using LDA20 and þ0.45 e using GGA21).