{
  "abstract": "This work proposes an exciton-kinetics coupled drift-diffusion (EKDD) model that bridges device-level charge transport with singlet and triplet excited-state kinetics. State populations and reversible photophysical transitions are solved self-consistently, enabling transient and steady-state device response calculations. We investigate how LE-CT, CT-CS, and LE-T energy offsets, together with triplet-transfer kinetics, govern charge generation, recombination, voltage loss, and extraction in organic photovoltaics. We identify CT-CS offset as a primary, largely overlooked factor controlling charge generation and voltage loss. A positive offset makes CT3-CS separation exothermic and improves generation, but lowers CS energy and increases voltage loss; a negative offset makes separation endothermic and highly temperature-sensitive. The model reproduces triplet-mediated recombination in PM6:Y6 and material-dependent triplet recycling in D18:NFA blends. We propose design rules for balanced generation and voltage loss via two charge-transfer channels: the LE-CT-CS pathway favors a moderate LE-CT offset of about 0.15-0.20 eV and a weakly exothermic CT-CS offset of about 0.05-0.075 eV; the T-CT3-CS pathway requires the same CT-CS alignment plus a small CT-T offset, no more than about 0.1 eV, corresponding to a recycling factor K greater than about 10^-2, to maintain fast T-to-CT3 recycling. CT-CS alignment is the main determinant of the charge-generation-voltage-loss trade-off, while triplet-recycling kinetics determines whether this balance survives at the device level. This work provides a unified theoretical description from exciton generation to free charge collection, offering a convenient tool for transient and steady-state analysis in organic photovoltaics.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.18022",
  "author_total": 3,
  "authors": [
    {
      "name": "Jun Du"
    },
    {
      "name": "Liming Liu"
    },
    {
      "name": "Jun Yan"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/dnvm6bx4ggk3c.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.18022",
  "fulltext_url": null,
  "id": "dnvm6bx4ggk3c",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.18022",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "physics.app-ph"
    ],
    [
      "openalex",
      "2208|Organic Electronics and Photovoltaics"
    ]
  ],
  "openalex": "W7221817290",
  "pdf_url": "https://arxiv.org/pdf/2610.18022",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-13",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/dnvm6bx4ggk3c.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:29:11Z",
      "native_id": "2610.18022",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.18022"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.app-ph",
      "subfield": "applied-instrumentation"
    }
  ],
  "title": "Device Model Linking Singlet and Triplet Spin-State Properties to Organic Photovoltaic Device Characteristics",
  "title_text": "Device Model Linking Singlet and Triplet Spin-State Properties to Organic Photovoltaic Device Characteristics",
  "type": "preprint",
  "updated_at": "2026-10-30T12:29:11Z",
  "url": "https://research.draconitic.com/paper/dnvm6bx4ggk3c",
  "venue": "arXiv",
  "versions": []
}