Functional Grain Boundaries in Two-Dimensional Transition-Metal Dichalcogenides,Accounts of Chemical Research

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Functional Grain Boundaries in Two-Dimensional Transition-Metal Dichalcogenides
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2021-10-31 , DOI: 10.1021/acs.accounts.1c00519
Ping Man ₁ , David Srolovitz _{2,

3} , Jiong Zhao ₄ , Thuc Hue Ly _{1,

5}

Affiliation

Two-dimensional (2D) transition-metal dichalcogenides (TMDs) are a class of promising low-dimensional materials with a variety of emergent properties which are attractive for next-generation electronic and optical devices; such properties include tunable band gaps, high electron mobilities, high exciton binding energies, excellent thermal stability and flexibility. During the synthesis process of these materials, especially chemical vapor deposition, defects such as grain boundaries (GBs) inevitably exist. GBs are the interfaces between differently oriented grains and are line defects in 2D crystals. While GBs can degrade the overall quality of 2D materials and adversely affect some of their electrical and mechanical properties, recent results show that GBs give rise to or enhance a wide range of unique electrical, mechanical, and chemical properties of the GBs in 2D TMDs. The effects of GBs on 2D material properties are complex and diverse, providing exciting opportunities to realize new functionalities by manipulating the local structure and properties. Notably, these effects are strongly related to atom types, dislocation cores, crystal misorientation at GBs, and both in- and out-of-plane deformation. The exploitation of GBs for novel applications requires a deepened understanding of synthesis, postprocessing, defect structures, GB properties, and GB structure–property relationships in 2D materials.

中文翻译：

二维过渡金属二硫属化物中的功能晶界

二维 (2D) 过渡金属二硫属化物 (TMD) 是一类很有前途的低维材料，具有多种新兴特性，对下一代电子和光学器件具有吸引力；这些特性包括可调带隙、高电子迁移率、高激子结合能、出色的热稳定性和灵活性。在这些材料的合成过程中，尤其是化学气相沉积过程中，不可避免地存在晶界（GBs）等缺陷。GB 是不同取向晶粒之间的界面，是二维晶体中的线缺陷。虽然 GB 会降低 2D 材料的整体质量并对它们的某些电气和机械性能产生不利影响，但最近的结果表明，GB 会产生或增强各种独特的电气、机械、和 2D TMD 中 GB 的化学性质。GBs 对二维材料特性的影响复杂多样，为通过操纵局部结构和特性实现新功能提供了令人兴奋的机会。值得注意的是，这些影响与原子类型、位错核、GB 的晶体取向错误以及面内和面外变形密切相关。在新应用中开发 GB 需要深入了解二维材料中的合成、后处理、缺陷结构、GB 特性和 GB 结构-特性关系。位错核、GB 处的晶体取向错误以及面内和面外变形。在新应用中开发 GB 需要深入了解二维材料中的合成、后处理、缺陷结构、GB 特性和 GB 结构-特性关系。位错核、GB 处的晶体取向错误以及面内和面外变形。在新应用中开发 GB 需要深入了解二维材料中的合成、后处理、缺陷结构、GB 特性和 GB 结构-特性关系。

更新日期：2021-11-16

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