% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Abramchuk:892381,
      author       = {Abramchuk, Mykola and Voskanyan, Albert A. and Arinicheva,
                      Yulia and Lilova, Kristina and Subramani, Tamilarasan and
                      Ma, Qianli and Dashjav, Enkhtsetseg and Finsterbusch, Martin
                      and Navrotsky, Alexandra},
      title        = {{E}nergetic {S}tability and {I}ts {R}ole in the {M}echanism
                      of {I}onic {T}ransport in {NASICON}-{T}ype {S}olid-{S}tate
                      {E}lectrolyte {L}i 1+ x {A}l x {T}i 2– x ({PO} 4 ) 3},
      journal      = {The journal of physical chemistry letters},
      volume       = {12},
      number       = {XXX},
      issn         = {1948-7185},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {FZJ-2021-02042},
      pages        = {4400 - 4406},
      year         = {2021},
      abstract     = {We apply high-temperature oxide melt solution calorimetry
                      to assess the thermodynamic properties of the material
                      Li1+xAlxTi2–x(PO4)3, which has been broadly recognized as
                      one of the best Li-ion-conducting solid electrolytes of the
                      NASICON family. The experimental results reveal large
                      exothermic enthalpies of formation from binary oxides
                      (ΔHf,ox°) and elements (ΔHf,el°) for all compositions in
                      the range 0 ≤ x ≤ 0.5. This indicates substantial
                      stability of Li1+xAlxTi2–x(PO4)3, driven by thermodynamics
                      and not just kinetics, during long-term battery operation.
                      The stability increases with increasing Al3+ content.
                      Furthermore, the dependence of the formation enthalpy on the
                      Al3+ content shows a change in behavior at x = 0.3, a
                      composition near which the Li+ conductivity reaches the
                      highest values. The strong correlation among thermodynamic
                      stability, ionic transport, and clustering is a general
                      phenomenon in ionic conductors that is independent of the
                      crystal structure as well as the type of charge carrier.
                      Therefore, the thermodynamic results can serve as guidelines
                      for the selection of compositions with potentially the
                      highest Li+ conductivity among different NASICON-type series
                      with variable dopant contents.},
      cin          = {IEK-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {33944567},
      UT           = {WOS:000651787900010},
      doi          = {10.1021/acs.jpclett.1c00925},
      url          = {https://juser.fz-juelich.de/record/892381},
}