Raman Signature of Stripe Domains in Monolayer WxMo1–xS2 Alloys

IF 8.3 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Natalya Sheremetyeva, Na Zhang, David Emanuel Sanchez, Zhuohang Yu, Michael Lamparski, Mauricio Terrones, Vincent Meunier
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引用次数: 0

Abstract

We study the Raman signature of stripe domains in monolayer WxMo1–xS2 alloys, characterized using experimental techniques and density functional theory (DFT) calculations. These stripe domains were found in star-shaped monolayer WS2 exhibiting a high concentration of molybdenum (Mo) atoms in its central region, and unique Raman peaks that were not previously reported. We attribute these peaks to the splitting of the original doubly degenerate E2g modes, arising from the lower symmetry of the W–Mo stripe domains. We confirm the stripe presence and location using high-resolution scanning transmission electron microscopy (STEM) imaging and use DFT to elucidate the structural, electronic, and vibrational properties of the stripes when the stoichiometry corresponds to W0.5Mo0.5S2. The findings provide insight into the evolution of the Raman spectra as stripe domains arise in TMD alloys, thus contributing to a broader understanding of the influence of atomic-level structural modifications on material properties.

Abstract Image

单层WxMo1-xS2合金条纹畴的拉曼特征
本文研究了单层WxMo1-xS2合金中条纹畴的拉曼特征,并利用实验技术和密度泛函理论(DFT)计算对其进行了表征。在星形单层WS2中发现了这些条纹结构域,在其中心区域显示出高浓度的钼(Mo)原子,并且具有以前未报道的独特的拉曼峰。我们将这些峰归因于原始双简并E2g模式的分裂,这是由W-Mo条纹域的低对称性引起的。我们使用高分辨率扫描透射电子显微镜(STEM)成像确认条纹的存在和位置,并使用DFT来阐明当化学计量符合W0.5Mo0.5S2时条纹的结构,电子和振动特性。这一发现为TMD合金中出现条纹域时拉曼光谱的演变提供了深入的见解,从而有助于更广泛地了解原子水平结构修饰对材料性能的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
ACS Applied Materials & Interfaces
ACS Applied Materials & Interfaces 工程技术-材料科学:综合
CiteScore
16.00
自引率
6.30%
发文量
4978
审稿时长
1.8 months
期刊介绍: ACS Applied Materials & Interfaces is a leading interdisciplinary journal that brings together chemists, engineers, physicists, and biologists to explore the development and utilization of newly-discovered materials and interfacial processes for specific applications. Our journal has experienced remarkable growth since its establishment in 2009, both in terms of the number of articles published and the impact of the research showcased. We are proud to foster a truly global community, with the majority of published articles originating from outside the United States, reflecting the rapid growth of applied research worldwide.
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