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@ARTICLE{Kang:603205,
      author       = {Kang, Yuchong and Yang, Kun and Fu, Jing and Wang, Zongguo
                      and Li, Xuao and Lu, Zhiqiang and Zhang, Jia and Li, Haibo
                      and Zhang, Jin and Ma, Wei},
      title        = {{S}elective {I}nterfacial {E}xcited‐{S}tate {C}arrier
                      {D}ynamics and {E}fficient {C}harge {S}eparation in
                      {B}orophene‐{B}ased {H}eterostructures},
      journal      = {Advanced materials},
      volume       = {36},
      number       = {5},
      issn         = {0935-9648},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {PUBDB-2024-00838},
      pages        = {2307591},
      year         = {2024},
      note         = {Waiting for fulltext},
      abstract     = {Borophene-based van der Waals heterostructures have
                      demonstrated enormous potential in the realm of
                      optoelectronic and photovoltaic devices, which has sparked a
                      wide range of interest. However, a thorough understanding of
                      the microscopic excited-state electronic dynamics at
                      interfaces is lacking, which is essential for determining
                      the macroscopic optoelectronic and photovoltaic performance
                      of borophene-based devices. In this study, photoexcited
                      carrier dynamics of $β_{12}$, $χ_3$, and $α$΄
                      borophene/MoS$_2$ heterostructures are systematically
                      studied based on time-domain nonadiabatic molecular dynamics
                      simulations. Different Schottky contacts are found in
                      borophene/semiconductor heterostructures. The interplay
                      between Schottky barriers, electronic coupling, and the
                      involvement of different phonon modes collectively
                      contribute to the unique carrier dynamics in borophene-based
                      heterostructures. The diverse borophene allotropes within
                      the heterostructures exhibit distinct and selective carrier
                      transfer behaviors on an ultrafast timescale: electrons
                      tunnel into α΄ borophene with an ultrafast transfer rate
                      (≈29 fs) in $α$΄/MoS$_2$ heterostructures, whereas
                      $β_{12}$ borophene only allows holes to migrate with a
                      lifetime of 176 fs. The feature enables efficient charge
                      separation and offers promising avenues for applications in
                      optoelectronic and photovoltaic devices. This study provides
                      insight into the interfacial carrier dynamics in
                      borophene-based heterostructures, which is helpful in
                      further design of advanced 2D boron-based optoelectronic and
                      photovoltaic devices.},
      cin          = {MPSD},
      ddc          = {660},
      cid          = {I:(DE-H253)MPSD-20120731},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:37757801},
      UT           = {WOS:001112692000001},
      doi          = {10.1002/adma.202307591},
      url          = {https://bib-pubdb1.desy.de/record/603205},
}