揭示Mo1-xWxSe2合金成分-性能关系的理论与实验研究

IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY
Ana Carolina Ferreira de Brito, Alysson Alves Pinto, Jan Plutnar, Zdenek Sofer, Gabriel Ravanhani Schleder, Rodrigo B Capaz, Ingrid David Barcelos, Bernardo Ruegger Almeida Neves
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引用次数: 0

摘要

二维过渡金属二硫族化物(TMD)合金由于其可调谐的晶体结构和独特的电子性能,已成为电子、光电和量子应用的通用平台。在本研究中,我们采用实验和理论相结合的方法,研究了原子组成对Mo1-xWxSe2合金的结构、电子和光学性能的影响。采用拉曼光谱、光致发光光谱(PL)和原子力显微镜(AFM)对不同Mo和W比的样品进行了合成和表征。局部阳极氧化(LAO)被用于处理合金薄片中的单层,在工程岛中显示出显着的发光增强, ;表明结构和电子修饰。此外,密度泛函理论(DFT)计算表明,氧化稳定性很大程度上取决于原子组成,Mo0.5W0.5Se2和Mo0.75W0.25Se2合金对空位形成的抵抗能力最高。这些发现突出了Mo1-xWxSe2合金在结构和电子工程方面的潜力,为纳米技术和量子计算的先进应用铺平了道路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Unveiling composition-properties relationships inMo1-xWxSe2alloys: a theoretical and experimental study.

Two-dimensional transition metal dichalcogenide alloys have emerged as a versatile platform for electronic, optoelectronic, and quantum applications due to their tunable crystal structure and unique electronic properties. In this study, we investigate the influence of atomic composition on the structural, electronic, and optical properties of theMo1-xWxSe2alloy, combining experimental and theoretical approaches. Samples with different Mo and W ratios were synthesized and characterized using Raman and photoluminescence spectroscopies, and atomic force microscopy. Local anodic oxidation was employed to manipulate monolayers within the alloy flakes, revealing significant luminescence enhancement in the engineered islands, suggesting structural and electronic modifications. Additionally, density functional theory calculations indicated that oxidation stability strongly depends on atomic composition, with theMo0.5W0.5Se2andMo0.75W0.25Se2alloys exhibiting the highest resistance to vacancy formation. These findings highlight the potential for structural and electronic engineering ofMo1-xWxSe2alloys, paving the way for advanced applications in nanotechnology and quantum computing.

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来源期刊
Nanotechnology
Nanotechnology 工程技术-材料科学:综合
CiteScore
7.10
自引率
5.70%
发文量
820
审稿时长
2.5 months
期刊介绍: The journal aims to publish papers at the forefront of nanoscale science and technology and especially those of an interdisciplinary nature. Here, nanotechnology is taken to include the ability to individually address, control, and modify structures, materials and devices with nanometre precision, and the synthesis of such structures into systems of micro- and macroscopic dimensions such as MEMS based devices. It encompasses the understanding of the fundamental physics, chemistry, biology and technology of nanometre-scale objects and how such objects can be used in the areas of computation, sensors, nanostructured materials and nano-biotechnology.
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