{
  "abstract": "The rational integration of complementary two-dimensional (2D) semiconductors into van der Waals (vdW) heterostructures provides an effective route for engineering interfacial electronic and optoelectronic properties. Herein, we systematically investigate the GeCH/HfSO vdW heterostructure by first-principles calculations, with particular emphasis on the roles of interfacial stacking, Janus polarization, and biaxial strain. The optimized heterostructure exhibits weak vdW interlayer coupling, together with dynamical and thermal stability. The electronic structure reveals a type-II band alignment, with the valence-band maximum predominantly localized on GeCH and the conduction-band minimum on HfSO. The heterostructure also exhibits enhanced broadband optical absorption with coefficients on the order of 10⁵ cm⁻¹. More importantly, biaxial strain enables effective control of the band alignment, inducing a transition from type-I to type-II, while tensile strain continuously enhances the theoretical estimated photovoltaic conversion efficiency from 2.23% at zero strain to 28.60% at ε = +10%. These results establish GeCH/HfSO as a mechanically tunable vdW heterostructure with strong interfacial charge-separation capability and promising potential for next-generation optoelectronic and solar-energy conversion applications.",
  "abstract_shown": true,
  "affiliations": [
    "Faculty of Fundamental Sciences, Hanoi University of Industry 298 Cau Dien Hanoi 100000 Vietnam tran.nhan@haui.edu.vn.",
    "Center for Environmental Intelligence, VinUniversity Hanoi 100000 Vietnam.",
    "School of Chemistry, Monash University Melbourne Victoria 3800 Australia.",
    "Division of Physics, School of Education, Dong Thap University Cao Lanh 870000 Vietnam.",
    "Institute of Research and Development, Duy Tan University Da Nang 550000 Vietnam hieunn@duytan.edu.vn.",
    "Faculty of Natural Sciences, Duy Tan University Da Nang 550000 Vietnam.",
    "Faculty of Mechanical Engineering, Le Quy Don Technical University Hanoi 100000 Vietnam.",
    "New Industry Creation Hatchery Center (NICHe), Tohoku University Sendai 980-8579 Japan.",
    "Department of Centre for Inter Disciplinary Research, SRM University-AP Amaravati 522240 Andhra Pradesh India.",
    "College of Engineering and Computer Science, VinUniversity Hanoi 100000 Vietnam bac.ptv@vinuni.edu.vn."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 9,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Tran T Nhan",
      "orcid": "0000-0002-3446-9574"
    },
    {
      "affs": [
        1
      ],
      "name": "Ngoc-Trung Nguyen"
    },
    {
      "affs": [
        1
      ],
      "name": "Trang Minh Pham"
    },
    {
      "affs": [
        2
      ],
      "name": "Tam Duy Nguyen"
    },
    {
      "affs": [
        3
      ],
      "name": "Huynh V Phuc",
      "orcid": "0000-0001-8063-0923"
    },
    {
      "affs": [
        4,
        5
      ],
      "name": "Nguyen N Hieu",
      "orcid": "0000-0001-5721-960X"
    },
    {
      "affs": [
        6
      ],
      "name": "Chuong V Nguyen",
      "orcid": "0000-0002-8365-3343"
    },
    {
      "affs": [
        7,
        8
      ],
      "name": "Yoshiyuki Kawazoe",
      "orcid": "0000-0002-2369-7045"
    },
    {
      "affs": [
        1,
        9
      ],
      "name": "Thi Viet Bac Phung",
      "orcid": "0000-0001-7717-2538"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/25rs9esefmwh1.bib",
  "cited_by": 0,
  "doi": "10.1039/d6ra08066a",
  "fulltext_url": "https://europepmc.org/articles/PMC13692005",
  "id": "25rs9esefmwh1",
  "issns": [
    "2046-2069"
  ],
  "landing_url": "https://europepmc.org/article/MED/42921165",
  "language": "eng",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Chemistry"
    ],
    [
      "openalex",
      "2505|2D Materials and Applications"
    ]
  ],
  "openalex": "W7223366876",
  "pdf_url": "https://europepmc.org/articles/PMC13692005?pdf=render",
  "pmcid": "PMC13692005",
  "pmid": "42921165",
  "published": "2026-10-23",
  "publisher": "Royal Society of Chemistry",
  "ris": "https://research.draconitic.com/paper/25rs9esefmwh1.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:20:33Z",
      "native_id": "MED:42921165",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42921165"
    },
    {
      "first_seen": "2026-11-07T12:23:38Z",
      "native_id": "PMC13692005",
      "source": "pmc",
      "url": "https://doi.org/10.1039/d6ra08066a"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|2D Materials and Applications",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Designing a strain-tunable hydrogenated GeCH/Janus HfSO van der Waals heterostructure for solar-energy conversion.",
  "title_text": "Designing a strain-tunable hydrogenated GeCH/Janus HfSO van der Waals heterostructure for solar-energy conversion.",
  "type": "peer-reviewed",
  "updated_at": "2026-11-07T12:23:38Z",
  "url": "https://research.draconitic.com/paper/25rs9esefmwh1",
  "venue": "RSC advances",
  "versions": []
}