High-throughput screening of 2D van der Waals crystals with plastic deformability

Zhiqiang Gao, Tian-Ran Wei (), Tingting Deng, Pengfei Qiu, Wei Xu, Yuecun Wang, Lidong Chen and Xun Shi ()
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Zhiqiang Gao: Chinese Academy of Sciences
Tian-Ran Wei: Shanghai Jiao Tong University
Tingting Deng: Chinese Academy of Sciences
Pengfei Qiu: Chinese Academy of Sciences
Wei Xu: Xi’an Jiaotong University
Yuecun Wang: Xi’an Jiaotong University
Lidong Chen: Chinese Academy of Sciences
Xun Shi: Chinese Academy of Sciences

Nature Communications, 2022, vol. 13, issue 1, 1-8

Abstract: Abstract Inorganic semiconductors exhibit multifarious physical properties, but they are prevailingly brittle, impeding their application in flexible and hetero-shaped electronics. The exceptional plasticity discovered in InSe crystal indicates the existence of abundant plastically deformable two-dimensional van der Waals (2D vdW) materials, but the conventional trial-and-error method is too time-consuming and costly. Here we report on the discovery of tens of potential 2D chalcogenide crystals with plastic deformability using a nearly automated and efficient high-throughput screening methodology. Seven candidates e.g., famous MoS2, GaSe, and SnSe2 2D materials are carefully verified to show largely anisotropic plastic deformations, which are contributed by both interlayer and cross-layer slips involving continuous breaking and reconstruction of chemical interactions. The plasticity becomes a new facet of 2D materials for deformable or flexible electronics.

Date: 2022
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DOI: 10.1038/s41467-022-35229-x

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