2D Materials Encyclopedia

Summary

The collection of 2D materials is gradually expanding. At the moment the database contains 6351 materials, of which

• 2940 were obtained by exfoliation of existing layered materials ("top-down" approach) and
• 3409 were obtained by chemical substituion from 2D materials ("bottom-up" approach).

There are

• 92 materials with 1 element
• 4107 materials with 2 elements
• 1603 materials with 3 elements
• 549 materials with 4 elements

Number of materials by bandgap:

• 2767 materials with bandgap <= 0.001 eV
• 2168 materials with bandgap > 0.001 eV and <= 2 eV
• 1416 materials with bandgap > 2 eV

Naturally, only a fraction of these materials are stable by themselves, but freestanding stability was not the main focus of this work, since materials can be stabilized by other means such as a substrate.

For the top-down materials exfoliated from stable layered materials, exfoliation energy is equal to E_above_hull which is an indication of stability. Number of top-down materials by exfoliation energy per atom:

• 89 materials with exfoliation energy <= 10 meV
• 676 materials with exfoliation energy > 10 meV and <= 50 meV
• 1722 materials with exfoliation energy > 50 meV and <= 100 meV
• 1945 materials with exfoliation energy > 100 meV

Jupyter notebook

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How to cite: Zhou, J., Shen, L., Costa, M.D. et al., "2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches", Sci Data 6, 86 (2019) (https://doi.org/10.1038/s41597-019-0097-3)