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@ARTICLE{Zhou:888209,
      author       = {Zhou, Chongjian and Yu, Yuan and Lee, Yea-Lee and Ge,
                      Bangzhi and Lu, Weiqun and Cojocaru-Mirédin, Oana and Im,
                      Jino and Cho, Sung-Pyo and Wuttig, Matthias and Shi, Zhongqi
                      and Chung, In},
      title        = {{E}xceptionally {H}igh {A}verage {P}ower {F}actor and
                      {T}hermoelectric {F}igure of {M}erit in n-type {P}b{S}e by
                      the {D}ual {I}ncorporation of {C}u and {T}e},
      journal      = {Journal of the American Chemical Society},
      volume       = {142},
      number       = {35},
      issn         = {1520-5126},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2020-04763},
      pages        = {15172 - 15186},
      year         = {2020},
      note         = {Bitte Post-print ergänzen},
      abstract     = {Thermoelectric materials with high average power factor and
                      thermoelectric figure of merit (ZT) has been a sought-after
                      goal. Here, we report new n-type thermoelectric system
                      CuxPbSe0.99Te0.01 (x = 0.0025, 0.004, and 0.005) exhibiting
                      record-high average ZT ∼ 1.3 over 400–773 K ever
                      reported for n-type polycrystalline materials including the
                      state-of-the-art PbTe. We concurrently alloy Te to the PbSe
                      lattice and introduce excess Cu to its interstitial voids.
                      Their resulting strong attraction facilitates charge
                      transfer from Cu atoms to the crystal matrix significantly.
                      It follows the increased carrier concentration without
                      damaging its mobility and the consequently improved
                      electrical conductivity. This interaction also increases
                      effective mass of electron in the conduction band according
                      to DFT calculations, thereby raising the magnitude of
                      Seebeck coefficient without diminishing electrical
                      conductivity. Resultantly, Cu0.005PbSe0.99Te0.01 attains an
                      exceptionally high average power factor of ∼27 μW cm–1
                      K–2 from 400 to 773 K with a maximum of ∼30 μW cm–1
                      K–2 at 300 K, the highest among all n- and p-type
                      PbSe-based materials. Its ∼23 μW cm–1 K–2 at 773 K is
                      even higher than ∼21 μW cm–1 K–2 of the
                      state-of-the-art n-type PbTe. Interstitial Cu atoms induce
                      the formation of coherent nanostructures. They are highly
                      mobile, displacing Pb atoms from the ideal octahedral center
                      and severely distorting the local microstructure. This
                      significantly depresses lattice thermal conductivity to
                      ∼0.2 Wm–1 K–1 at 773 K below the theoretical lower
                      bound. The multiple effects of the dual incorporation of Cu
                      and Te synergistically boosts a ZT of Cu0.005PbSe0.99Te0.01
                      to ∼1.7 at 773 K.},
      cin          = {PGI-10},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-10-20170113},
      pnm          = {521 - Controlling Electron Charge-Based Phenomena
                      (POF3-521)},
      pid          = {G:(DE-HGF)POF3-521},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {32786777},
      UT           = {WOS:000569271600036},
      doi          = {10.1021/jacs.0c07712},
      url          = {https://juser.fz-juelich.de/record/888209},
}