{"dcterms:modified":"2026-03-09","dcterms:creator":"A Dataverse Instance","@type":"ore:ResourceMap","@id":"https://data.fz-juelich.de/api/datasets/export?exporter=OAI_ORE&persistentId=doi:10.26165/JUELICH-DATA/1XFQBW","ore:describes":{"Title":"Replication Data for: Tailoring Li-Al-O Interphases in Garnet-Type Solid-State Electrolytes via Powder Atomic Layer Deposition","fzj:Institute":"IET-1","fzj:PoF IV topic":"Batteries in Application (POF4-1223)","Author":[{"author:Name":"Steinhoff, Michael","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0009-0008-9136-151X"},{"author:Name":"Domgans, Anna","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0009-0004-9879-2700"},{"author:Name":"Ahmed, Jehad","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0009-0003-0462-9332"},{"author:Name":"Schierholz, Roland","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0000-0002-2298-4405"},{"author:Name":"Daniel, Davis Thomas","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0000-0001-7035-3416"},{"author:Name":"Aghdassi, Nabi","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0000-0002-0175-4096"},{"author:Name":"Yu, Shicheng","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0000-0002-6619-3330"},{"author:Name":"Tempel, Hermann","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","Identifier Scheme":"ORCID","Identifier":"0000-0002-9794-6403"},{"author:Name":"Eichel, Rüdiger-A.","author:Affiliation":"IET-1 Forschungszentrum Jülich GmbH, Faculty of Mechanical Engineering RWTH Aachen University","Identifier Scheme":"ORCID","Identifier":"0000-0002-0013-6325"}],"citation:Contact":[{"datasetContact:Name":"Steinhoff, Michael","datasetContact:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","datasetContact:E-mail":"m.steinhoff@fz-juelich.de"},{"datasetContact:Name":"Tempel, Hermann","datasetContact:Affiliation":"IET-1 Forschungszentrum Jülich GmbH","datasetContact:E-mail":"h.tempel@fz-juelich.de"}],"citation:Description":{"dsDescription:Text":"<h2>Study Overview</h2>\r\n\r\n<p>\r\nIn 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.\r\n</p>\r\n\r\n<hr>\r\n\r\n<h2>Dataset Description</h2>\r\n\r\n<p>\r\nThis dataset contains NMR, XPS, XRD, Ellipsometry, EDS line scans, and electrochemical measurements to investigate Li-Al-O interphases in LLZTO.\r\n</p>\r\n\r\n<p>\r\nThe dataset is organized into the following folders:\r\n</p>\r\n\r\n<dl>\r\n\r\n<dt><strong>NMR</strong></dt>\r\n<dd>\r\n<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>.\r\n</dd>\r\n\r\n<dt><strong>XPS</strong></dt>\r\n<dd>\r\nX-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>.\r\n</dd>\r\n\r\n<dt><strong>XRD</strong></dt>\r\n<dd>\r\nX-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>.\r\n</dd>\r\n\r\n<dt><strong>Ellipsometry</strong></dt>\r\n<dd>\r\nEllipsometry data were recorded using a FS-8 spectroscopic ellipsometer (Film Sense LLC). Data are stored in the folder <code>Ellipsometry</code>.\r\n</dd>\r\n\r\n<dt><strong>Electrochemistry</strong></dt>\r\n<dd>\r\nElectrochemical 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>.\r\n</dd>\r\n\r\n<dt><strong>EDS line profile</strong></dt>\r\n<dd>\r\nEDS line profiles were recorded using a FEI Titan G2 80-200 CREWLEY system. Data are stored in the folder <code>EDS_line_profile</code>.\r\n</dd>\r\n\r\n</dl>","dsDescription:Date":"2025-09-18"},"Subject":"Chemistry","Contributor":[{"contributor:Type":"Data Collector","contributor:Name":"Steinhoff, Michael"},{"contributor:Type":"Data Collector","contributor:Name":"Domgans, Anna"},{"contributor:Type":"Data Collector","contributor:Name":"Ahmed, Jehad"},{"contributor:Type":"Data Collector","contributor:Name":"Schierholz, Roland"},{"contributor:Type":"Data Collector","contributor:Name":"Daniel, Davis Thomas"},{"contributor:Type":"Data Collector","contributor:Name":"Agdhassi, Nabi"},{"contributor:Type":"Supervisor","contributor:Name":"Yu, Shicheng"},{"contributor:Type":"Supervisor","contributor:Name":"Tempel, Hermann"},{"contributor:Type":"Supervisor","contributor:Name":"Eichel, Rüdiger-A."}],"Grant Information":[{"grantNumber:Grant Agency":"“High Performance Solid-State Batteries” (HIPSTER) from Ministerium für Kultur und Wissenschaft des Landes Nordrhein-Westfalen"},{"grantNumber:Grant Agency":"\"Forschungsinfrastruktur für zukünftige Batteriengenerationen\" (NextGenBat) from Bundesministerium für Forschung, Technologie und Raumfahrt","grantNumber:Grant Number":"1703FI12"},{"grantNumber:Grant Agency":"\"Interfaces and Interphases in Rechargeable Li Based Batteries: Cathode/Solid Electrolyte – Phase 2\" (CatSE2) from Bundesministerium für Forschung, Technologie und Raumfahrt","grantNumber:Grant Number":"13XPO510A"}],"citation:Depositor":"Steinhoff, Michael","Deposit Date":"2025-09-18","Software":[{"software:Name":"Velox"},{"software:Name":"TopSpin","software:Version":"4.1.0"},{"software:Name":"CasaXPS"},{"software:Name":"Diffrac.Topas","software:Version":"7"},{"software:Name":"Aztec"},{"software:Name":"EC-Lab"},{"software:Name":"Zview"}],"@id":"doi:10.26165/JUELICH-DATA/1XFQBW","@type":["ore:Aggregation","schema:Dataset"],"schema:version":"1.0","schema:datePublished":"2026-03-09","schema:name":"Replication Data for: Tailoring 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