Fig. 6 | Communications Chemistry

Fig. 6

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

Fig. 6The alternative text for this image may have been generated using AI.

Atomic structure of lithiated and delithiated MoS2. Side view of AIRSS-found a Li2.0MoS2 and b Li1.625MoS2 and the delithiated phases of c Li2.0MoS2 with \(E_{{\mathrm{cohesive}}} =\)−5.11 eV and d Li1.625MoS2 with \(E_{{\mathrm{cohesive}}} =\)−5.25 eV. Cohesive energy of the pristine MoS2 phase is found to be −5.33 eV. The purple balls represent the Mo atoms

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