{
  "abstract": "LiNi0.5Ge1.5O4 (LNGO), a Ge-substituted analogue of high-voltage cobalt-free LiNi0.5Mn1.5O4 (LNMO) spinel cathode, has previously been reported to show electrochemical inertness up to 5V vs. Li+/Li. However, thermodynamic and electronic origins of this inert behaviour have remained unexplored. Herein, we investigated the redox mechanism and thermodynamic driving force governing the (de)intercalation behaviour of LNGO using first-principles density functional theory (DFT+U) and verified using experimental findings. Convex hull analysis over the compositional range (0",
  "abstract_shown": true,
  "affiliations": [
    "Theoretical Sciences Unit",
    "JNCASR",
    "Physical and Materials Chemistry Division",
    "CSIR-NCL",
    "Academy of Scientific and Innovative Research (AcSIR"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 6,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Mayank Sharma"
    },
    {
      "affs": [
        2,
        3,
        4
      ],
      "name": "Vinay Mirzapure"
    },
    {
      "affs": [
        2,
        3,
        4
      ],
      "name": "Rajesh C. Bhatt"
    },
    {
      "affs": [
        2,
        3,
        4
      ],
      "name": "Manjusha Shelke"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Swapan K. Pati"
    },
    {
      "name": "Mayank SHARMA",
      "orcid": "0009-0008-2903-1018"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/856qgw61yfwka.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15011013/v1",
  "fulltext_url": null,
  "id": "856qgw61yfwka",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011013/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|Advancements in Battery Materials"
    ]
  ],
  "openalex": "W7223707586",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15011013/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-25",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/856qgw61yfwka.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:26Z",
      "native_id": "10.26434/chemrxiv.15011013",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011013/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "source:chemrxiv",
      "subfield": "general"
    }
  ],
  "title": "Elucidating thermodynamic infeasibility of the (de)-lithiation process in 5V-class LiNi0.5Ge1.5O4 solid electrolyte",
  "title_text": "Elucidating thermodynamic infeasibility of the (de)-lithiation process in 5V-class LiNi0.5Ge1.5O4 solid electrolyte",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:26Z",
  "url": "https://research.draconitic.com/paper/856qgw61yfwka",
  "venue": "ChemRxiv",
  "versions": []
}