期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 24, 期 14, 页码 8371-8377出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d2cp00918h
关键词
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资金
- National Key R&D Program of China [2018YFB0407600]
- Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi [2020L0609]
- Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory
- Young Talents Program of Henan University
The structural stability, electronic properties, mechanical flexibility, and intrinsic piezoelectricity of InSeBr-type monolayers are comprehensively investigated. The results show that InSeBr-type monolayers exhibit ultrahigh mechanical flexibility and superior piezoelectric response, making them promising for applications in sensors and energy harvesters.
InSeBr-Type monolayers, ternary In(Se,S)(Br,Cl) compounds, are typical two-dimensional (2D) Janus materials and can be exfoliated from their bulk crystals. The structural stability, electronic properties, mechanical flexibility, and intrinsic piezoelectricity of these InSeBr-type 2D Janus monolayers are comprehensively investigated by first-principles calculations. Our calculations show that the stable InSeBr-type monolayers exhibit ultrahigh mechanical flexibility with low Young's moduli. Due to the amazing flexibility of the InSeBr monolayer with an ultra-low Young's modulus of 0.81 N m(-1), the piezoelectric strain coefficient d(11) can reach 10(3) pm V-1 orders of magnitude (around 2361-3224 pm V-1), which is larger than those of reported 2D materials and even superior to those of conventional perovskite bulk materials. Such a superior piezoelectric response of InSeBr-type monolayers could facilitate their practical applications in sensors and energy harvesters.
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