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

Gao, Zhiqiang; Wei, Tian-Ran; Deng, Tingting; Qiu, Pengfei; Xu, Wei; Wang, Yuecun; Chen, Lidong; Shi, Xun · Nat Commun · 2022

basic_science · Level V

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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 MoS<sub>2</sub>, GaSe, and SnSe<sub>2</sub> 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.