Fig. 1 | Communications Chemistry

Fig. 1

From: High-throughput first-principles-calculations based estimation of lithium ion storage in monolayer rhenium disulfide

Fig. 1The alternative text for this image may have been generated using AI.

Atomic structures. a Top and b side view of a 2×2 ReS2 unit cell. The grey balls represent Re atoms and the yellow balls represent S atoms. The dashed line represents the unit cell boundary. c All stable Li adsorption sites on a 2×2 ReS2 unit cell. Green balls represent Li at the α sites and blue balls represent Li at the β sites. Note that all of these sites were found using randomly placing an Li ion over a 2×2 ReS2 supercell and relaxing the structure but are clubbed into a single 2×2 supercell in the figure for the convenience of visualization

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