二硫化钼和二硫化钨中缺陷的积极面及一种通用的化学处理协议用于缺陷钝化
The bright side of defects in MoS$_2$ and WS$_2$ and a generalizable chemical treatment protocol for defect passivation
AI总结：
研究揭示硫空位作为激子陷阱，提出通过硫醇或硫化物与路易斯酸结合的通用处理协议，提升光致发光275倍并保持载流子迁移率。
摘要：
结构缺陷长期以来被认为会损害单层过渡金属二硫化物的光电性能，导致人们努力通过改进材料生长或生长后钝化来消除缺陷。本文通过稳态和超快光学光谱，结合从头计算，证明硫空位作为激子陷阱。现有化学处理无法钝化这些位点，导致载流子迁移率下降和受陷阱限制的光致发光减少。我们提出一种通用的处理协议，利用钝化剂如硫醇或硫化物结合路易斯酸，钝化单层MoS₂和WS₂中的硫空位，使光致发光增加275倍，同时保持迁移率。我们的发现表明，一种简单且理性的缺陷工程策略，其中钝化剂改变电子性质，从而允许设计新的异质结构。
英文摘要：
Structural defects are widely regarded as detrimental to the optoelectronic properties of monolayer transition metal dichalcogenides, leading to concerted efforts to eliminate defects via improved materials growth or post-growth passivation. Here, using steady-state and ultrafast optical spectroscopy, supported by ab initio calculations, we demonstrate that sulfur vacancy defects act as exciton traps. Current chemical treatments do not passivate these sites, leading to decreased mobility and trap-limited photoluminescence. We present a generalizable treatment protocol based on the use of passivating agents such as thiols or sulfides in combination with a Lewis acid to passivate sulfur vacancies in monolayer MoS$_2$ and WS$_2$, increasing photoluminescence up to 275 fold, while maintaining mobilities. Our findings suggest a route for simple and rational defect engineering strategies, where the passivating agent varies the electronic properties, thereby allowing the design of new heterostructures.
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