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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) ofLithium 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.…


| Autor*innen: | Jorit ObenlüneschloßORCiD, Nils BoysenORCiD, Karl RönnbyORCiD, Arbresha MuriqiORCiD, Volker Hoffmann, Carlos Enrique Abad AndradeORCiD, Detlef RogallaORCiD, Ulrike BrokmannORCiD, Edda RädleinORCiD, Michael NolanORCiD, Anjana DeviORCiD |
|---|---|
| Dokumenttyp: | Zeitschriftenartikel |
| Veröffentlichungsform: | Verlagsliteratur |
| Sprache: | Englisch |
| Titel des übergeordneten Werkes (Englisch): | Angewandte Chemie - International Edition |
| Jahr der Erstveröffentlichung: | 2025 |
| Organisationseinheit der BAM: | 1 Analytische Chemie; Referenzmaterialien |
| 1 Analytische Chemie; Referenzmaterialien / 1.6 Anorganische Referenzmaterialien und Gasanalytik | |
| Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
| Verlag: | Wiley-VCH |
| Verlagsort: | Weinheim |
| Aufsatznummer: | e202513066 |
| Erste Seite: | 1 |
| Letzte Seite: | 11 |
| DDC-Klassifikation: | Naturwissenschaften und Mathematik / Chemie / Analytische Chemie |
| Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten | |
| Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Angewandte Physik | |
| Freie Schlagwörter: | Atomic layer deposition (ALD); Compositional analysis (RBS/NRA, XPS, GD-OES); Li-silicate thin films (LiSixOy); Lithium ALD precursor chemistry; Mononuclear Li–carbene complex [Li(tBuNHC)(hmds)]; N-heterocyclic carbene (NHC) ligands; Thermal properties & TGA/volatility |
| Themenfelder/Aktivitätsfelder der BAM: | Chemie und Prozesstechnik |
| Chemie und Prozesstechnik / Chemische Charakterisierung und Spurenanalytik | |
| Energie | |
| Energie / Elektrische Energiespeicher und -umwandlung | |
| Material | |
| Material / Advanced Materials | |
| DOI: | 10.1002/anie.202513066 |
| URN: | urn:nbn:de:kobv:b43-643790 |
| ISSN: | 1433-7851 |
| Zugehöriger Identifikator: | https://nbn-resolving.org/urn:nbn:de:kobv:b43-644045 |
| Bemerkung: | Es gibt eine parallele Sprachausgabe (deutsch), ein Link befindet sich im Feld zugehöriger Identifikator - There is a parallel language edition (German), a link is in the field related identifier |
| Verfügbarkeit des Dokuments: | Datei im Netzwerk der BAM verfügbar ("Closed Access") |
| Lizenz (Deutsch): | Creative Commons - CC BY - Namensnennung 4.0 International |
| Datum der Freischaltung: | 16.10.2025 |
| Referierte Publikation: | Ja |
| Datum der Eintragung als referierte Publikation: | 16.10.2025 |


