{
  "abstract": "Lithium metal chlorides are a promising class of solid-state electrolyte (SSE) materials that may enable the use of lithium anodes for next-generation electrochemical energy storage. Zr-substituted Li 3 ScCl 6 (Li 3-x Sc 1-x Zr x Cl 6 ), combines the high ionic conductivities of Li 3 ScCl 6 with the moisture resistance of Li 2 ZrCl 6 that facilitates processing and manufacturing. However, little is known about the solid electrolyte interphase (SEI) formation and composition at the Li 3-x Sc 1-x Zr x Cl 6 and Li metal anode interfacial region. Elucidating the relevant (electro)chemical processes is crucial for engineering Li 3-x Sc 1-x Zr x Cl 6 | Li 0 interfaces with low interfacial impedances and long-term cycling stability. Here, we utilize the virtual-electrode X-ray photoelectron spectroscopy (VE-XPS) technique study the formation and early-stage evolution of the SEI. Additionally, we investigate the long-term effects of galvanostatic cycling on the ion transport properties and how SEI evolution impacts the overall electrochemical impedance of Li 2.8 Sc 0.8 Zr 0.2 Cl 6 -based cells. Our results show the initial SEI formation diverges from thermodynamic phase decomposition predictions due to the presence of oxygen, leading to formation of a novel Li-Sc-Zr-oxide (LSZO) phase that is compositionally similar to Li 7 La 3 Zr 2 O 12 (LLZO). For the early-stage SEI, this oxygen-mediated decomposition pathway appears to mitigate reduction of the metal cations and prevent the formation of metallic phases (e.g., metallic Zr, Sc, and Sc-Zr alloys). We find that LSZO phase formation effectively passivates the Li 2.8 Sc 0.8 Zr 0.2 Cl 6 | Li 0 interface and enables plating and stripping of metallic lithium.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry",
    "Colorado School of Mines",
    "National Laboratory of the Rockies"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Sinclair R. Combs",
      "orcid": "0000-0002-8982-0288"
    },
    {
      "affs": [
        2
      ],
      "name": "Zachary J. Berquist"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Annalise E. Maughan"
    },
    {
      "affs": [
        2
      ],
      "name": "Glenn Teeter"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/3565hg44m1672.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15011105/v1",
  "fulltext_url": null,
  "id": "3565hg44m1672",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011105/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2208|Advanced Battery Materials and Technologies"
    ]
  ],
  "openalex": "W7223941721",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-27",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/3565hg44m1672.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:26Z",
      "native_id": "10.26434/chemrxiv.15011105",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011105/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "source:chemrxiv",
      "subfield": "general"
    }
  ],
  "title": "Virtual electrode XPS experiments on Li 3−x Sc 1−x Zr x Cl ₆ (x ∼ 0.2): Oxygen-mediated interface passivation on metallic lithium anodes",
  "title_text": "Virtual electrode XPS experiments on Li 3−x Sc 1−x Zr x Cl ₆ (x ∼ 0.2): Oxygen-mediated interface passivation on metallic lithium anodes",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:26Z",
  "url": "https://research.draconitic.com/paper/3565hg44m1672",
  "venue": "ChemRxiv",
  "versions": []
}