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Part 1: Document Description
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Citation |
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Title: |
Replication Data for: Tailoring Li-Al-O Interphases in Garnet-Type Solid-State Electrolytes via Powder Atomic Layer Deposition |
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Identification Number: |
doi:10.26165/JUELICH-DATA/1XFQBW |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2026-03-09 |
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Version: |
1 |
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Bibliographic Citation: |
Steinhoff, Michael; Domgans, Anna; Ahmed, Jehad; Schierholz, Roland; Daniel, Davis Thomas; Aghdassi, Nabi; Yu, Shicheng; Tempel, Hermann; Eichel, Rüdiger-A., 2026, "Replication Data for: Tailoring Li-Al-O Interphases in Garnet-Type Solid-State Electrolytes via Powder Atomic Layer Deposition", https://doi.org/10.26165/JUELICH-DATA/1XFQBW, Jülich DATA, V1 |
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Citation |
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Title: |
Replication Data for: Tailoring Li-Al-O Interphases in Garnet-Type Solid-State Electrolytes via Powder Atomic Layer Deposition |
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Identification Number: |
doi:10.26165/JUELICH-DATA/1XFQBW |
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Authoring Entity: |
Steinhoff, Michael (IET-1 Forschungszentrum Jülich GmbH) |
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Domgans, Anna (IET-1 Forschungszentrum Jülich GmbH) |
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Ahmed, Jehad (IET-1 Forschungszentrum Jülich GmbH) |
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Schierholz, Roland (IET-1 Forschungszentrum Jülich GmbH) |
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Daniel, Davis Thomas (IET-1 Forschungszentrum Jülich GmbH) |
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Aghdassi, Nabi (IET-1 Forschungszentrum Jülich GmbH) |
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Yu, Shicheng (IET-1 Forschungszentrum Jülich GmbH) |
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Tempel, Hermann (IET-1 Forschungszentrum Jülich GmbH) |
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Eichel, Rüdiger-A. (IET-1 Forschungszentrum Jülich GmbH, Faculty of Mechanical Engineering RWTH Aachen University) |
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Other identifications and acknowledgements: |
Steinhoff, Michael |
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Other identifications and acknowledgements: |
Domgans, Anna |
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Other identifications and acknowledgements: |
Ahmed, Jehad |
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Other identifications and acknowledgements: |
Schierholz, Roland |
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Other identifications and acknowledgements: |
Daniel, Davis Thomas |
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Other identifications and acknowledgements: |
Agdhassi, Nabi |
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Other identifications and acknowledgements: |
Yu, Shicheng |
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Other identifications and acknowledgements: |
Tempel, Hermann |
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Other identifications and acknowledgements: |
Eichel, Rüdiger-A. |
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Software used in Production: |
Velox |
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Software used in Production: |
TopSpin |
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Software used in Production: |
CasaXPS |
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Software used in Production: |
Diffrac.Topas |
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Software used in Production: |
Aztec |
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Software used in Production: |
EC-Lab |
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Software used in Production: |
Zview |
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Grant Number: |
1703FI12 |
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Grant Number: |
13XPO510A |
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Distributor: |
Jülich DATA |
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Access Authority: |
Steinhoff, Michael |
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Access Authority: |
Tempel, Hermann |
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Depositor: |
Steinhoff, Michael |
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Date of Deposit: |
2025-09-18 |
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Study Scope |
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Keywords: |
Chemistry |
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Abstract: |
<h2>Study Overview</h2> <p> In this study, the influence of atomic layer deposition (ALD) derived Li-Al-O interphases in garnet-type Li<sub>6.4</sub>La<sub>3</sub>Zr<sub>1.4</sub>Ta<sub>0.6</sub>O<sub>12</sub> (LLZTO) solid-state electrolyte (SSE) was investigated. Garnet-type SSE are prone to lithium dendrite growth along interfaces, which causes short-circuits, significantly reducing cell performance. ALD offers high control over coating chemistry and morphology to precisly modify these interfaces in SSEs. Here, Al<sub>2</sub>O<sub>3</sub> ALD coatings were applied on LLZTO powder. MAS NMR, XPS and STEM analysis reveal the formation of a compositionally graded Li-Al-O interphase upon deposition due to proton-exchange-induced lithium diffusion. During high-temperature sintering, the ALD coating induces densification and considerable interdiffusion with LLZTO, resulting in a multi-phase microstructure which can be directly controlled via the ALD process, as confirmed by XRD, SEM and EDS measurments. Electrochemical testing reveals that medium-thickness coatings (~ 6.8 nm, 25 ALD cycles) yield optimal performance, exhibiting ionic conductivity at room temperature of 0.39 mS/cm with good Li-dendrite resitance and long-term cycling stability. </p> <hr> <h2>Dataset Description</h2> <p> This dataset contains NMR, XPS, XRD, Ellipsometry, EDS line scans, and electrochemical measurements to investigate Li-Al-O interphases in LLZTO. </p> <p> The dataset is organized into the following folders: </p> <dl> <dt><strong>NMR</strong></dt> <dd> <sup>27</sup>Al Solid-state magic angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy experiments were performed using an AvanceNEO spectrometer (Bruker). Data are stored in the folder <code>NMR</code>. </dd> <dt><strong>XPS</strong></dt> <dd> X-ray photoelectron spectroscopy (XPS) measurements of the Al 2p and C 1s region were conducted using a NEXSA G2 spectrometer (Thermo Fisher Scientific). Data are stored in the folder <code>XPS</code>. </dd> <dt><strong>XRD</strong></dt> <dd> X-ray diffraction (XRD) experiments were recorded using an Empyrean diffractometer (Pananalytical). Quantitative phase analysis (QPA) on the XRD diffractograms were conducted using the software package Diffrac.Topas version 7 (Bruker). The corresponding diffractograms and fitting data are stored in the folder <code>XRD</code>. </dd> <dt><strong>Ellipsometry</strong></dt> <dd> Ellipsometry data were recorded using a FS-8 spectroscopic ellipsometer (Film Sense LLC). Data are stored in the folder <code>Ellipsometry</code>. </dd> <dt><strong>Electrochemistry</strong></dt> <dd> Electrochemical impedance spectroscopy (EIS), critical current density (CCD) measurements, long-term plating/stripping experiments and chronoamperometry (CA) measurements were performed. Data are stored in the folder <code>Electrochemistry</code>. </dd> <dt><strong>EDS line profile</strong></dt> <dd> EDS line profiles were recorded using a FEI Titan G2 80-200 CREWLEY system. Data are stored in the folder <code>EDS_line_profile</code>. </dd> </dl> |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Label: |
Al2O3_reference_NMR.txt |
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Notes: |
text/plain |
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Al2O3_reference_XPS_Al2p.txt |
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Notes: |
text/plain |
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EC_README.txt |
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text/plain |
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EDS_README.txt |
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text/plain |
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Ellipsometry_README.txt |
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Notes: |
text/plain |
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LiAlO2_reference_NMR.txt |
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Notes: |
text/plain |
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LiAlO2_reference_XPS_Al2p.txt |
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text/plain |
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LLZTO_100cycles_CA_1.txt |
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text/plain |
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LLZTO_100cycles_CA_2.txt |
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text/plain |
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LLZTO_100cycles_CCD.txt |
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text/plain |
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LLZTO_100cycles_EIS.txt |
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text/plain |
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LLZTO_100cycles_Longterm.txt |
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text/plain |
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LLZTO_100cycles_NMR.txt |
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LLZTO_100cycles_QPA_fit.txt |
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LLZTO_100cycles_QPA_plot.txt |
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LLZTO_100cycles_XPS_Al2p.txt |
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LLZTO_100cycles_XRD.txt |
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LLZTO_10cycles_CA_1.txt |
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LLZTO_10cycles_CA_2.txt |
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LLZTO_10cycles_CCD.txt |
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LLZTO_10cycles_EIS.txt |
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LLZTO_10cycles_Longterm.txt |
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LLZTO_10cycles_QPA_fit.txt |
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LLZTO_10cycles_QPA_plot.txt |
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LLZTO_10cycles_XRD.txt |
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LLZTO_25cycles_CA_1.txt |
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LLZTO_25cycles_CA_2.txt |
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LLZTO_25cycles_CCD.txt |
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text/plain |
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LLZTO_25cycles_EIS.txt |
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LLZTO_25cycles_Longterm.txt |
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LLZTO_25cycles_QPA_fit.txt |
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LLZTO_25cycles_QPA_plot.txt |
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LLZTO_25cycles_XRD.txt |
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LLZTO_50cycles_CA_1.txt |
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LLZTO_50cycles_CA_2.txt |
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LLZTO_50cycles_CCD.txt |
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text/plain |
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LLZTO_50cycles_EIS.txt |
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text/plain |
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LLZTO_50cycles_Longterm.txt |
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text/plain |
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LLZTO_50cycles_QPA_fit.txt |
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text/plain |
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LLZTO_50cycles_QPA_plot.txt |
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LLZTO_50cycles_XRD.txt |
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LLZTO_Pristine_QPA_fit.txt |
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LLZTO_Pristine_QPA_plot.txt |
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text/plain |
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LLZTO_pristine_XPS_C1s.txt |
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text/plain |
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LLZTO_Pristine_XRD.txt |
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Long_range_Al.txt |
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text/plain |
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Long_range_La.txt |
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Long_range_O.txt |
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Long_range_Ta.txt |
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Long_range_Zr.txt |
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NMR_README.txt |
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README.txt |
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Short_range_Al.txt |
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Short_range_BF.txt |
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Short_range_La.txt |
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Short_range_O.txt |
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Short_range_Ta.txt |
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Short_range_Zr.txt |
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Si_reference_100cycles_Ellipsometry_1.txt |
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Si_reference_100cycles_Ellipsometry_2.txt |
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Si_reference_100cycles_Ellipsometry_3.txt |
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XPS_README.txt |
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text/plain |
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XRD_README.txt |
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text/plain |