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  1. two-dimensional-metal-borides two-dimensional-metal-borides Public

    cystal models of two-dimensional metal borides (MBenes) obtained by DFT computations using the VASP

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  2. 2D-expanded-metal-phthalocyanine 2D-expanded-metal-phthalocyanine Public

    A prototype of metal dimer embedded in 2D expanded phthalocyanine

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  3. POSCARtoJDFTxinput POSCARtoJDFTxinput Public

    Python

  4. 2D-Materials_database-for-ORR-and-OER 2D-Materials_database-for-ORR-and-OER Public

  5. Example-of-grand-canonical-reaction-kinetics Example-of-grand-canonical-reaction-kinetics Public

  6. 2D-Fe-Pc 2D-Fe-Pc Public

    https://doi.org/10.1021/acscatal.9b02778