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@ARTICLE{Zhang:1025386,
      author       = {Zhang, Lishu},
      title        = {{F}irst-principles calculations of transport properties in
                      lead-based nanomaterials: {A} mini review},
      journal      = {Computational materials science},
      volume       = {231},
      issn         = {0927-0256},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2024-02849},
      pages        = {112549 -},
      year         = {2024},
      abstract     = {In the rapidly evolving domain of nanotechnology,
                      understanding transport properties in nanomaterials,
                      especially those based on lead, is of paramount importance.
                      This mini review provides a critical examination of
                      first-principles calculations applied to discern transport
                      characteristics within lead-based nanomaterials, with a
                      special emphasis on nanowires and other intricate
                      nanostructures. These systems, characterized by their
                      reduced dimensions and quantum effects, manifest unique
                      electronic behaviors, significantly influenced by the
                      interplay of electronic states at the nanoscale. By
                      collating and analyzing recent research endeavors, we
                      furnish a succinct overview of the advancements in this
                      niche. Emphasis is placed on the methodologies underlying
                      first-principles calculations, the consequent revelations
                      about these nanomaterials, and their potential impact on
                      sectors like electronics devices. Furthermore, the review
                      underscores the challenges and prospects in this realm,
                      aiming to provide both researchers and practitioners with a
                      cogent understanding of lead-based nanomaterials’
                      transport properties. As these materials solidify their
                      importance in the annals of nanotechnology, the insights
                      garnered from such reviews are instrumental in steering
                      future innovations and technological breakthroughs.},
      cin          = {PGI-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-1-20110106},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001090957500001},
      doi          = {10.1016/j.commatsci.2023.112549},
      url          = {https://juser.fz-juelich.de/record/1025386},
}