Figure 1 | Scientific Reports

Figure 1

From: Effect of Li Adsorption on the Electronic and Hydrogen Storage Properties of Acenes: A Dispersion-Corrected TAO-DFT Study

Figure 1

Structures of (a) pure 5-acene, (b) Li-adsorbed 5-acene, (c) Li-adsorbed 5-acene with one H2 molecule adsorbed on each Li adatom, (d) Li-adsorbed 5-acene with two H2 molecules adsorbed on each Li adatom, and (e) Li-adsorbed 5-acene with three H2 molecules adsorbed on each Li adatom. Here, grey, white, and purple balls represent C, H, and Li atoms, respectively.

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