{
  "abstract": "This study investigates oxidative degradation mechanisms of the non-metallic organic dye Eosin Y in order to examine precisely how they influence the light-harvesting efficiency (LHE) of Dye-Sensitized Solar Cells (DSSCs). Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) computations with ABINIT are used to construct the molecular geometry and electronic configuration of the dye in its neutral form, oxidized adduct state , and oxidized state with excited electron. From the basic Highest Occupied Molecular Orbital (HOMO) to its Lowest Unoccupied Molecular Orbital (LUMO) energy gaps and Ultraviolet-Visible (UV/Vis) absorbance spectra obtained from the computations, it is evident that both photo-oxidation and oxygen addition render the molecule inactive, resulting in up to 90% reduction in extinction coefficient and near disappearance of the visible absorption spectrum. In summary, this project provides a molecular-level interpretation of the efficiency reduction experienced in organic DSSCs due to oxidative degradation.",
  "abstract_shown": true,
  "affiliations": [
    "Kostanay Bilim Innovation Boarding School Lyceum for gifted children"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 1,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Alibek Kadralinov",
      "orcid": "0009-0006-0803-0978"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/85w7ka6qaxsmm.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15009628/v1",
  "fulltext_url": null,
  "id": "85w7ka6qaxsmm",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009628/v1",
  "language": null,
  "licence": "CC-BY-NC",
  "licence_label": "CC BY-NC",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2105|TiO2 Photocatalysis and Solar Cells"
    ]
  ],
  "openalex": "W7214720842",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15009628/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-29",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/85w7ka6qaxsmm.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:21Z",
      "native_id": "10.26434/chemrxiv.15009628",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009628/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "source:chemrxiv",
      "subfield": "general"
    }
  ],
  "title": "Detection of Molecular Oxidation States in Dye Sensitized Solar Cells-Relevant Organic Dyes Eosin Y Through Optical UV/Vis Absorption Spectrum Changes",
  "title_text": "Detection of Molecular Oxidation States in Dye Sensitized Solar Cells-Relevant Organic Dyes Eosin Y Through Optical UV/Vis Absorption Spectrum Changes",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:21Z",
  "url": "https://research.draconitic.com/paper/85w7ka6qaxsmm",
  "venue": "ChemRxiv",
  "versions": []
}