Supplementary material for Unraveling the enhanced sodium-storage mechanism in a strongly bonded 2D honeycomb borophene/boron phosphide heterostructure
posted on 2024-10-02, 12:01authored byJunming Fan, Haiyuan Chen, Xiaobin Niu
See the supplementary material for details of the DOS, BAND and Phonon dispersion curves for HB and BP, AIMD simulations of adsorption intermediate states at the temperature of 300 K, Longer-duration AIMD simulations and Bader calculations.