用于含锂薄膜原子层沉积的稀有单核锂-碳烯配合物。

IF 16.9
Jorit Obenlüneschloß, Nils Boysen, Karl Rönnby, Arbresha Muriqi, Volker Hoffmann, Carlos Abad, Detlef Rogalla, Ulrike Brokmann, Edda Rädlein, Michael Nolan, Anjana Devi
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引用次数: 0

摘要

锂是现代电池技术的核心材料,采用原子层沉积法(ALD)制备含锂材料在控制薄膜成分和厚度方面具有显著的优势。在这项工作中,一种新的单核n -杂环碳烯(NHC)稳定锂配合物[Li(tBuNHC)(hmds)]被引入作为含锂薄膜ALD的有前途的前驱体。通过比较密度泛函理论(DFT)和单晶x射线衍射(SC-XRD),进行了结构表征,确认了一种罕见的单核结构。热重分析(TGA)证明了ALD应用的良好热性能。该化合物熔点低,蒸发干净,与其他锂前驱体相比,其挥发性参数令人鼓舞。使用[Li(tBuNHC)(hmd)]和臭氧的ALD试验证明了它在沉积LiSixOy薄膜方面的有效性。ALD过程的每周期饱和生长(GPC)为0.95 Å。使用卢瑟福后向散射光谱/核反应分析(RBS/NRA)、x射线光电子能谱(XPS)和辉光发射光谱(GD-OES)进行的成分分析证实了锂和硅在预期比例中的存在。这项工作不仅提出了一种新的ALD前体,而且有助于理解锂化学,为NHC配体稳定的锂配合物的有趣的配位化学和热行为提供了见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Rare Mononuclear Lithium-Carbene Complex for Atomic Layer Deposition of Lithium Containing Thin Films.

Lithium is the core material of modern battery technologies and fabricating the lithium-containing materials with atomic layer deposition (ALD) confers significant benefits in control of film composition and thickness. In this work, a new mononuclear N-heterocyclic carbene (NHC) stabilized lithium complex, [Li(tBuNHC)(hmds)], is introduced as a promising precursor for ALD of lithium-containing thin films. Structural characterization is performed, comparing density functional theory (DFT) and single-crystal X-ray diffraction (SC-XRD), confirming a rare mononuclear structure. Favorable thermal properties for ALD applications are evidenced by thermogravimetric analysis (TGA). The compound exhibits a low melting point, clean evaporation, and its volatility parameters are encouraging compared to other lithium precursors. ALD trials using [Li(tBuNHC)(hmds)] with ozone demonstrate its effectiveness in depositing LiSixOy films. The ALD process exhibits a saturated growth per cycle (GPC) of 0.95 Å. Compositional analysis using Rutherford backscattering spectrometry/nuclear reaction analysis (RBS/NRA), X-ray photoelectron spectrometry (XPS), and glow discharge optical emission spectrometry (GD-OES), confirms the presence of lithium and silicon in the expected ratios. This work not only presents a new ALD precursor but also contributes to the understanding of lithium chemistry, offering insights into the intriguing coordination chemistry and thermal behavior of lithium complexes stabilized by NHC ligands.

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