论文标题
横向过渡金属二甲藻元化异质结构的机械性能
Mechanical properties of lateral transition metal dichalcogenide heterostructures
论文作者
论文摘要
由于其特定的结构，电子和机械性能，过渡金属二甲藻（TMD）单层引起了极大的关注。它们的外侧异质结构的形成允许在工程电子和光电设备方面具有新的灵活性。但是，很少研究侧异质结构的机械性能。在这项研究中，对不同TMD单层的1H，1T'和1H/1T'异质结构的机械特性的比较研究，包括二硫化钼（MOS2）脱硫化钼（MOS2）钼（Mose2）（MOSE2）（MOSE2）（MOSE2），TUNGSTEN二硫化物（WS2）和tungsten dungsten discentional dungsten dis2 dis2 dis2 dis2 dis2 distcotcotion（WSS2）的作用（WSS2）de2 disccotcotion（WS）discandcotcotiond（Ws）（WS）wes2 distcoctiond（WS）（WS）（WS2）。计算。我们的结果表明，对于所有TMD单层，外侧异质结构具有相对较弱的机械强度。 TMD单层的机械性能及其结构相之间的显着相关性可用于调整其材料的刚度。因此，我们的发现提出了一种新的策略，可以通过为其实际应用设计其结构阶段来操纵TMD的机械特性。
Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in engineering electronic and optoelectronic devices. However, the mechanical properties of the lateral heterostructures are rarely investigated. In this study, a comparative investigation on the mechanical characteristics of 1H, 1T' and 1H/1T' heterostructure phases of different TMD monolayers including molybdenum disulfide (MoS2) molybdenum diselenide (MoSe2), Tungsten disulfide (WS2), and Tungsten diselenide (WSe2) was conducted by means of density functional theory (DFT) calculations. Our results indicate that the lateral heterostructures have a relatively weak mechanical strength for all the TMD monolayers. The significant correlation between the mechanical properties of the TMD monolayers and their structural phases can be used to tune their stiffness of the materials. Our findings, therefore, suggest a novel strategy to manipulate the mechanical characteristics of TMDs by engineering their structural phases for their practical applications.
