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@ARTICLE{Zhang:916264,
      author       = {Zhang, Chaohua and Yan, Gan and Wang, Yibo and Wu, Xuelian
                      and Hu, Lipeng and Liu, Fusheng and Ao, Weiqin and
                      Cojocaru-Mirédin, Oana and Wuttig, Matthias and Snyder, G.
                      Jeffrey and Yu, Yuan},
      title        = {{G}rain {B}oundary {C}omplexions {E}nable a {S}imultaneous
                      {O}ptimization of {E}lectron and {P}honon {T}ransport
                      {L}eading to {H}igh-{P}erformance {G}e{T}e {T}hermoelectric
                      {D}evices},
      journal      = {Advanced energy materials},
      volume       = {13},
      number       = {3},
      issn         = {1614-6832},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2022-06065},
      pages        = {2203361 -},
      year         = {2023},
      abstract     = {Grain boundaries (GBs) form ubiquitous microstructures in
                      polycrystalline materials which play a significant role in
                      tuning the thermoelectric figure of merit (ZT). However, it
                      is still unknown which types of GB features are beneficial
                      for thermoelectrics due to the challenge of correlating
                      complex GB microstructures with transport properties. Here,
                      it is demonstrated that GB complexions formed by Ga
                      segregation in GeTe-based alloys can optimize electron and
                      phonon transport simultaneously. The Ga-rich complexions
                      increase the power factor by reducing the GB resistivity
                      with slightly improved Seebeck coefficients. Simultaneously,
                      they lower the lattice thermal conductivity by strengthening
                      the phonon scattering. In contrast, Ga2Te3 precipitates at
                      GBs act as barriers to scatter both phonons and electrons
                      and are thus unable to improve ZT. Tailoring GBs combined
                      with the beneficial alloying effects of Sb and Pb enables a
                      peak ZT of ≈2.1 at 773 K and an average ZT of 1.3 within
                      300–723 K for Ge0.78Ga0.01Pb0.1Sb0.07Te. The corresponding
                      thermoelectric device fabricated using 18-pair p-n legs
                      shows a power density of 1.29 W cm−2 at a temperature
                      difference of 476 K. This work indicates that GB complexions
                      can be a facile way to optimize electron and phonon
                      transport, further advancing thermoelectric materials.},
      cin          = {PGI-10},
      ddc          = {050},
      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:000891033200001},
      doi          = {10.1002/aenm.202203361},
      url          = {https://juser.fz-juelich.de/record/916264},
}