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KxC6BN monolayers: (a) Flowchart of the script used to obtain the lowest energy structure when adding a K atom. No additional sites are found when the number of attempts n approaches 500. (b–d) Maximally potassiated C6BN monolayer. (e–g) OCV as a function of the specific capacity with insets showing the formation energy as a function of x. (h–j) Variation of the density of states during K adsorption.
