Jorit Obenlüneschloß, Nils Boysen, Karl Rönnby, Arbresha Muriqi, Volker Hoffmann, Carlos Abad, Detlef Rogalla, Ulrike Brokmann, Edda Rädlein, Michael Nolan, Anjana Devi
{"title":"用于含锂薄膜原子层沉积的稀有单核锂-碳烯配合物。","authors":"Jorit Obenlüneschloß, Nils Boysen, Karl Rönnby, Arbresha Muriqi, Volker Hoffmann, Carlos Abad, Detlef Rogalla, Ulrike Brokmann, Edda Rädlein, Michael Nolan, Anjana Devi","doi":"10.1002/anie.202513066","DOIUrl":null,"url":null,"abstract":"<p><p>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(<sup>tBu</sup>NHC)(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(<sup>tBu</sup>NHC)(hmds)] with ozone demonstrate its effectiveness in depositing LiSi<sub>x</sub>O<sub>y</sub> 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.</p>","PeriodicalId":520556,"journal":{"name":"Angewandte Chemie (International ed. in English)","volume":" ","pages":"e202513066"},"PeriodicalIF":16.9000,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rare Mononuclear Lithium-Carbene Complex for Atomic Layer Deposition of Lithium Containing Thin Films.\",\"authors\":\"Jorit Obenlüneschloß, Nils Boysen, Karl Rönnby, Arbresha Muriqi, Volker Hoffmann, Carlos Abad, Detlef Rogalla, Ulrike Brokmann, Edda Rädlein, Michael Nolan, Anjana Devi\",\"doi\":\"10.1002/anie.202513066\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>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(<sup>tBu</sup>NHC)(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(<sup>tBu</sup>NHC)(hmds)] with ozone demonstrate its effectiveness in depositing LiSi<sub>x</sub>O<sub>y</sub> 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.</p>\",\"PeriodicalId\":520556,\"journal\":{\"name\":\"Angewandte Chemie (International ed. in English)\",\"volume\":\" \",\"pages\":\"e202513066\"},\"PeriodicalIF\":16.9000,\"publicationDate\":\"2025-09-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Angewandte Chemie (International ed. in English)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1002/anie.202513066\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Angewandte Chemie (International ed. in English)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/anie.202513066","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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.