Figure 8
From: Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFT

Binding energy of the yth H2 molecule (y = 1–5) on Li2Bn (n = 6, 8, …, and 16), obtained with TAO-BLYP-D.
From: Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFT

Binding energy of the yth H2 molecule (y = 1–5) on Li2Bn (n = 6, 8, …, and 16), obtained with TAO-BLYP-D.