The DOI matches its Crossref record; 41 of the 41 references it cites were found in a registry or an index.
Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials
Open accessAbstract
The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic clusters in a structure's unit cell, and determines their scaling with cell size. The search yielded 826 stable layered materials that are considered as candidates for the formation of two-dimensional monolayers via exfoliation. Density-functional theory was used to calculate the exfoliation energy of each material and 680 monolayers emerge with exfoliation energies below those of already-existent two-dimensional materials. The crystal structures of these two-dimensional materials provide templates for future theoretical searches of stable two-dimensional materials. The optimized structures and other calculated data for all 826 monolayers are provided at our database (https://materialsweb.org).
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Metadata
- Authors
- Ashton, M., Paul, J., Sinnott, S. B., & Hennig, R. G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2017-03-07
- Volume
- 118
- Issue
- 10
- Pages
- 106101-106101
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2541349792
- Cited by
- 359
- References
- 41
- FWCI
- 17.39
- Type
- journal article
- Language
- en
- Open access
- green
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