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Data-Driven Quest for Two-Dimensional Non-van der Waals Materials.

Publication ,  Journal Article
Friedrich, R; Ghorbani-Asl, M; Curtarolo, S; Krasheninnikov, AV
Published in: Nano letters
February 2022

Two-dimensional (2D) materials are frequently associated with the sheets forming bulk layered compounds bonded by van der Waals (vdW) forces. The anisotropy and weak interaction between the sheets have also been the main criteria in the computational search for new 2D systems, predicting ∼2000 exfoliable compounds. However, some representatives of a new type of non-vdW 2D systems, without layered 3D analogues, were recently manufactured. For this novel materials class, data-driven design principles are still missing. Here, we outline a set of 8 binary and 20 ternary candidates by filtering the AFLOW-ICSD database according to structural prototypes. The oxidation state of the surface cations regulates the exfoliation energy with low oxidation numbers leading to weak bonding─a useful descriptor to obtain novel 2D materials also providing clear guidelines for experiments. A vast range of appealing electronic, optical, and magnetic properties make the candidates attractive for various applications and particularly spintronics.

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Published In

Nano letters

DOI

EISSN

1530-6992

ISSN

1530-6984

Publication Date

February 2022

Volume

22

Issue

3

Start / End Page

989 / 997

Related Subject Headings

  • Nanoscience & Nanotechnology
  • Electronics
  • Anisotropy
 

Citation

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MLA
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Friedrich, R., Ghorbani-Asl, M., Curtarolo, S., & Krasheninnikov, A. V. (2022). Data-Driven Quest for Two-Dimensional Non-van der Waals Materials. Nano Letters, 22(3), 989–997. https://doi.org/10.1021/acs.nanolett.1c03841
Friedrich, Rico, Mahdi Ghorbani-Asl, Stefano Curtarolo, and Arkady V. Krasheninnikov. “Data-Driven Quest for Two-Dimensional Non-van der Waals Materials.Nano Letters 22, no. 3 (February 2022): 989–97. https://doi.org/10.1021/acs.nanolett.1c03841.
Friedrich R, Ghorbani-Asl M, Curtarolo S, Krasheninnikov AV. Data-Driven Quest for Two-Dimensional Non-van der Waals Materials. Nano letters. 2022 Feb;22(3):989–97.
Friedrich, Rico, et al. “Data-Driven Quest for Two-Dimensional Non-van der Waals Materials.Nano Letters, vol. 22, no. 3, Feb. 2022, pp. 989–97. Epmc, doi:10.1021/acs.nanolett.1c03841.
Friedrich R, Ghorbani-Asl M, Curtarolo S, Krasheninnikov AV. Data-Driven Quest for Two-Dimensional Non-van der Waals Materials. Nano letters. 2022 Feb;22(3):989–997.
Journal cover image

Published In

Nano letters

DOI

EISSN

1530-6992

ISSN

1530-6984

Publication Date

February 2022

Volume

22

Issue

3

Start / End Page

989 / 997

Related Subject Headings

  • Nanoscience & Nanotechnology
  • Electronics
  • Anisotropy