Unveiling Surface Dynamics: In Situ Oxidation of Defective WS2

IF 5.8 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Nanoscale Pub Date : 2025-03-12 DOI:10.1039/d4nr04992f
Daria Kieczka, Fabio Bussolotti, Thathsara D Maddumapatabandi, Michel Bosman, Alexander Shluger, Anna Regoutz, Kuan Eng Johnson Goh
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引用次数: 0

Abstract

Applications of transition-metal dichalcogenides (TMDs) are affected by defects and oxidation in air. In this work, we clarify the relationship between oxidation dynamics and O2 availability for highly defective (and therefore reactive) surfaces of WS2 crystals. Grazing incidence Ar+ sputtering was used to induce a significant concentration of S vacancies in the sample, rendering it highly susceptible to oxidative degradation. In this paper we observe that oxidation occurs slowly under low O2 pressures (<10-4< mbar) due to reduced O2-vacancy interactions. At higher O2 pressures, the reaction progresses rapidly, as tracked by changes in the oxidation state of W using XPS. The density functional theory calculations support the experimentally observed changes in the oxidation state of W after sputtering and oxidation. They provide the mechanisms of O2 dissociation on S vacancy clusters, demonstrating that the reaction barrier depends on the coordination of surface W atoms. These results can be useful for protecting samples from degradation in device applications.
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来源期刊
Nanoscale
Nanoscale CHEMISTRY, MULTIDISCIPLINARY-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
12.10
自引率
3.00%
发文量
1628
审稿时长
1.6 months
期刊介绍: Nanoscale is a high-impact international journal, publishing high-quality research across nanoscience and nanotechnology. Nanoscale publishes a full mix of research articles on experimental and theoretical work, including reviews, communications, and full papers.Highly interdisciplinary, this journal appeals to scientists, researchers and professionals interested in nanoscience and nanotechnology, quantum materials and quantum technology, including the areas of physics, chemistry, biology, medicine, materials, energy/environment, information technology, detection science, healthcare and drug discovery, and electronics.
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