{
  "abstract": "Atomistic molecular dynamics simulations of anthracene-based nanocars (ANTH-R; R= H, Me, Cl) on Au(100) and Au(111) facets in explicit water, investigating the combined effects of facet crystallography, substituent chemistry, and solvation previously unexplored. Binding free energies reveal stronger adsorption on Au(111): ANTH-Me > ANTH-Cl > ANTH-H, with diffusion suppressed upto 100 fold on Au(111). Substituent chemistry influences adsorption geometry and create varied transport regimes providing design principles for nanocar motion under realistic conditions.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemical Engineering",
    "Indian Institute of Technology Ropar"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Kush Kumar"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Miteshkumar Moirangthem"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Santosh Kumar Meena",
      "orcid": "0000-0003-0170-9110"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/as58gvtz2dzt2.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15008484/v1",
  "fulltext_url": null,
  "id": "as58gvtz2dzt2",
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  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008484/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2204|Surface Chemistry and Catalysis"
    ]
  ],
  "openalex": "W7211957684",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008484/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-08",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/as58gvtz2dzt2.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:17Z",
      "native_id": "10.26434/chemrxiv.15008484",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008484/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "source:chemrxiv",
      "subfield": "general"
    }
  ],
  "title": "Facet Selective Adsorption and Mobility of Anthracene Based Nanocars on Gold Surfaces",
  "title_text": "Facet Selective Adsorption and Mobility of Anthracene Based Nanocars on Gold Surfaces",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:17Z",
  "url": "https://research.draconitic.com/paper/as58gvtz2dzt2",
  "venue": "ChemRxiv",
  "versions": []
}