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@ARTICLE{Yu:1005303,
      author       = {Yu, Yuan and Wuttig, Matthias},
      title        = {{M}etavalent bonding impacts charge carrier transport
                      across grain boundaries},
      journal      = {Nano research energy},
      volume       = {2},
      issn         = {2791-0091},
      address      = {Beijing},
      publisher    = {Tsinghua University Press},
      reportid     = {FZJ-2023-01415},
      pages        = {e9120057 -},
      year         = {2023},
      abstract     = {Understanding the mechanisms underpinning the charge
                      carrier scattering at grain boundaries is crucial to design
                      thermoelectrics and other electronic materials. Yet, this is
                      a very challenging task due to the complex characteristics
                      of grain boundaries and the resulting difficulties in
                      correlating grain boundary structures to local properties.
                      Recent advances in characterizing charge transport across
                      grain boundaries are reviewed, demonstrating how the
                      microstructure, composition, chemical bonding and electrical
                      properties of the same individual grain boundary can be
                      correlated. A much higher potential barrier height is
                      observed in high-angle grain boundaries. This can be
                      ascribed to the larger number density of deep trapping
                      states caused by the local collapse of metavalent bonding. A
                      novel approach to study the influence of the local chemical
                      bonding mechanism around defects on the resulting local
                      properties is thus developed. The results provide insights
                      into the tailoring of electronic properties of metavalently
                      bonded compounds by engineering the characteristics of grain
                      boundaries.},
      cin          = {PGI-10},
      ddc          = {333.7},
      cid          = {I:(DE-Juel1)PGI-10-20170113},
      pnm          = {5233 - Memristive Materials and Devices (POF4-523)},
      pid          = {G:(DE-HGF)POF4-5233},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001494133100001},
      doi          = {10.26599/NRE.2023.9120057},
      url          = {https://juser.fz-juelich.de/record/1005303},
}