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原子级薄二硫化钨的力学性能:WS、WSe和WTe

Mechanical Properties of Atomically Thin Tungsten Dichalcogenides: WS, WSe, and WTe.

作者信息

Falin Alexey, Holwill Matthew, Lv Haifeng, Gan Wei, Cheng Jun, Zhang Rui, Qian Dong, Barnett Matthew R, Santos Elton J G, Novoselov Konstantin S, Tao Tao, Wu Xiaojun, Li Lu Hua

机构信息

Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, China.

Institute for Frontier Materials, Deakin University, Geelong Waurn Ponds Campus, Waurn Ponds, Geelong, Victoria 3216, Australia.

出版信息

ACS Nano. 2021 Feb 23;15(2):2600-2610. doi: 10.1021/acsnano.0c07430. Epub 2021 Jan 27.

Abstract

Two-dimensional (2D) tungsten disulfide (WS), tungsten diselenide (WSe), and tungsten ditelluride (WTe) draw increasing attention due to their attractive properties deriving from the heavy tungsten and chalcogenide atoms, but their mechanical properties are still mostly unknown. Here, we determine the intrinsic and air-aged mechanical properties of mono-, bi-, and trilayer (1-3L) WS, WSe, and WTe using a complementary suite of experiments and theoretical calculations. High-quality 1L WS has the highest Young's modulus (302.4 ± 24.1 GPa) and strength (47.0 ± 8.6 GPa) of the entire family, overpassing those of 1L WSe (258.6 ± 38.3 and 38.0 ± 6.0 GPa, respectively) and WTe (149.1 ± 9.4 and 6.4 ± 3.3 GPa, respectively). However, the elasticity and strength of WS decrease most dramatically with increased thickness among the three materials. We interpret the phenomenon by the different tendencies for interlayer sliding in an equilibrium state and under in-plane strain and out-of-plane compression conditions in the indentation process, revealed by the finite element method and density functional theory calculations including van der Waals interactions. We also demonstrate that the mechanical properties of the high-quality 1-3L WS and WSe are largely stable in air for up to 20 weeks. Intriguingly, the 1-3L WSe shows increased modulus and strength values with aging in the air. This is ascribed to oxygen doping, which reinforces the structure. The present study will facilitate the design and use of 2D tungsten dichalcogenides in applications such as strain engineering and flexible field-effect transistors.

摘要

二维(2D)二硫化钨(WS)、二硒化钨(WSe)和二碲化钨(WTe)因其重钨原子和硫族元素原子所具有的吸引人的特性而受到越来越多的关注,但其机械性能大多仍不为人所知。在此,我们使用一系列互补的实验和理论计算方法,确定了单层、双层和三层(1 - 3L)WS、WSe和WTe的本征及空气老化后的机械性能。高质量的1L WS具有整个家族中最高的杨氏模量(302.4 ± 24.1吉帕)和强度(47.0 ± 8.6吉帕),超过了1L WSe(分别为258.6 ± 38.3和38.0 ± 6.0吉帕)以及WTe(分别为149.1 ± 9.4和6.4 ± 3.3吉帕)。然而,在这三种材料中,WS的弹性和强度随厚度增加下降最为显著。我们通过有限元方法以及包括范德华相互作用的密度泛函理论计算揭示的在压痕过程中平衡状态下以及面内应变和面外压缩条件下的层间滑动不同趋势来解释这一现象。我们还证明,高质量的1 - 3L WS和WSe的机械性能在空气中长达20周内基本稳定。有趣的是,1 - 3L WSe在空气中老化时模量和强度值会增加。这归因于氧掺杂,它强化了结构。本研究将有助于二维二硫属化钨在应变工程和柔性场效应晶体管等应用中的设计和使用。

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