% 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{Novko:867554,
      author       = {Novko, Dino and Zhang, Qian and Kaghazchi, Payam},
      title        = {{N}onadiabatic {E}ffects in {R}aman {S}pectra of {A}l {C}l
                      4 − -graphite {B}ased {B}atteries},
      journal      = {Physical review applied},
      volume       = {12},
      number       = {2},
      issn         = {2331-7019},
      address      = {College Park, Md. [u.a.]},
      publisher    = {American Physical Society},
      reportid     = {FZJ-2019-06177},
      pages        = {024016},
      year         = {2019},
      abstract     = {Raman spectroscopy is one of the most valuable experimental
                      techniques for quality assessment and structural
                      characterization of sample materials. As such, it has been
                      applied to understand the mechanism of the staging of anions
                      and cations into graphite-based electrodes in a variety of
                      energy storage devices such as Al batteries, dual-ion cells,
                      and Li-ion batteries. However, the correlation between the
                      Raman peaks and intercalation stages is still unclear in
                      most of these systems. This is due to the fact that the
                      modeling of electron-phonon coupling in highly doped
                      graphite systems is beyond the standard Born-Oppenheimer
                      approximation. Here, we simulate the Raman peaks for
                      AlCl−4-intercalated graphite in Al batteries by using a
                      nonadiabatic coupling theory. Specifically, we successfully
                      correlate the Raman peaks of the G phonon in AlCl−4-doped
                      graphite with experiment for intercalation stages 1, 2, and
                      4, while stage 3 appears to be absent. Stages 1 and 2 have
                      not been observed in experimental XRD patterns. We therefore
                      believe that the AlCl−4-graphite intercalation compound
                      has a core-shell structure with a maximum stage of 4 or 3 in
                      the core and 2 or 1 in the shell. In addition, the observed
                      intense narrow Raman bands for the Al-ion battery cathode
                      are due to the high level of graphite doping and are
                      explained in terms of low electron-phonon decay rates.},
      cin          = {IEK-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000479195400003},
      doi          = {10.1103/PhysRevApplied.12.024016},
      url          = {https://juser.fz-juelich.de/record/867554},
}