Figure 3
From: Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFT

Li binding energy on Bn, obtained with TAO-BLYP-D.
From: Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFT

Li binding energy on Bn, obtained with TAO-BLYP-D.