Electric Field Induced Reversible Phase Transition in Li Doped Phosphorene: Shape Memory Effect and Superelasticity

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• 作者：Junkai Deng ; Zhenyue Chang ; Tong Zhao ; Xiangdong Ding ; Jun Sun ; Jefferson Zhe Liu
• 刊名：Journal of the American Chemical Society
• 出版年：2016
• 出版时间：April 13, 2016
• 年：2016
• 卷：138
• 期：14
• 页码：4772-4778
• 全文大小：410K
• 年卷期：0
• ISSN：1520-5126

文摘

Phosphorene, the single-layer form of black phosphorus, as a new member of atomically thin material family, has unique puckered atomistic structure and remarkable physical and chemical properties. In this paper, we report a discovery of an unexpected electromechanical energy conversion phenomenon—shape memory effect—in Li doped phosphorene P₄Li₂, using ab initio density functional theory simulations. Two stable phases are found for the two-dimensional (2D) P₄Li₂ crystal. Applying an external electric field can turn on or off the unique adatom switches in P₄Li₂ crystals, leading to a reversible structural phase transition and thereby the shape memory effect with an tunable strain output as high as 2.06%. Our results demonstrate that multiple temporary shapes are attainable in one piece of P₄Li₂ material, offering programmability that is particularly useful for device designs. Additionally, the P₄Li₂ displays superelasticity that can generate a pseudoelastic tensile strain up to 6.2%. The atomic thickness, superior flexibility, excellent electromechanical strain output, the special shape memory phenomenon, and the programmability feature endow P₄Li₂ with great application potential in high-efficient energy conversion at nanoscale and flexible nanoelectromechanical systems.