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Insulating gas grids gas Decomposition enervac

Density functional theory screening of gas-treatment ...· DFT suggests energetically viable gas-induced reconstructions of metal Li surfaces. • Gas decomposition can change the work function of metal Li by more than 1 eV. • SO 2 treatment modeled to lead to insulating ultra-thin passivation layers. • N 2, CO 2, O 2, F 2 treatment with ≤1 monolayer leads to metallic passivation layers. •

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