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@ARTICLE{Hu:1005301,
      author       = {Hu, Lipeng and Duan, Bingcai and Lyu, Tu and Lin, Nan and
                      Zhang, Chaohua and Liu, Fusheng and Li, Junqin and Wuttig,
                      Matthias and Yu, Yuan},
      title        = {{I}n situ {D}esign of {H}igh-{P}erformance {D}ual {P}hase
                      {G}e{S}e {T}hermoelectrics by {T}ailoring {C}hemical
                      {B}onds},
      journal      = {Advanced functional materials},
      volume       = {33},
      number       = {17},
      issn         = {1616-301X},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2023-01413},
      pages        = {2214854 -2214866},
      year         = {2023},
      abstract     = {Composite engineering favors high thermoelectric
                      performance by tuning the carrier and phonon transport.
                      Herein, orthorhombic and rhombohedral dual-phase GeSe are
                      designed in situ by tailoring chemical bonds. Atom probe
                      tomography verifies the coexistence of a covalently bonded
                      orthorhombic phase and a metavalently bonded rhombohedral
                      phase in GeSe-InTe alloys. The production of the
                      rhombohedral phase simultaneously increases the carrier
                      concentration, the carrier mobility, the band degeneracy,
                      and the density-of-states effective mass due to the reduced
                      formation energy of cation vacancies and the improved
                      crystal symmetry. These attributes are beneficial to a
                      high-power factor. In addition, the thermal conductivity can
                      be significantly reduced due to the intrinsically strong
                      lattice anharmonicity of the metavalently bonded phase, the
                      interfacial acoustic phonon mismatch across different
                      bonding mechanisms, and the phonon scattering at
                      vacancy-solute clusters. Moreover, the metavalently bonded
                      phase embraces higher solubility of dopants that enables the
                      further optimization of properties by Cd-Ag doping,
                      resulting in a zT of 0.95 at 773 K as well as enhanced
                      strength and ductility in dual-phase
                      Ge0.94Cd0.03Ag0.03Se(InTe)0.15. This work indicates that in
                      situ design of dual-phase composites by tailoring chemical
                      bonds is an effective method for enhancing the
                      thermoelectric and mechanical properties of GeSe and other
                      p-bonded chalcogenides.},
      cin          = {PGI-10},
      ddc          = {530},
      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:000922359400001},
      doi          = {10.1002/adfm.202214854},
      url          = {https://juser.fz-juelich.de/record/1005301},
}