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@ARTICLE{Shchur:910216,
      author       = {Shchur, Yaroslav and Beltramo, Guillermo and Andrushchak,
                      Anatolii S. and Vitusevich, Svetlana and Huber, Patrick and
                      Adamiv, Volodymyr and Teslyuk, Ihor and Boichuk, Nazarii and
                      Kityk, Andriy V.},
      title        = {{O}n the issue of textured crystallization of {B}a({NO}3)2
                      in mesoporous {S}i{O}2: {R}aman spectroscopy and lattice
                      dynamics analysis},
      journal      = {Spectrochimica acta / A},
      volume       = {275},
      issn         = {0584-8539},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2022-03693},
      pages        = {121157 -},
      year         = {2022},
      abstract     = {The lattice dynamics of preferentially aligned nanocrystals
                      formed upon drying of aqueous Ba(NO3)2 solutions in a
                      mesoporous silica glass traversed by tubular pores of
                      approximately 12 nm are explored by Raman scattering. To
                      interpret the experiments on the confined nanocrystals
                      polarized Raman spectra of bulk single crystals and X-ray
                      diffraction experiments are also performed. Since a cubic
                      symmetry is inherent to Ba(NO3)2, a special Raman scattering
                      geometry was utilized to separate the phonon modes of Ag and
                      Eg species. Combining group-theory analysis and ab initio
                      lattice dynamics calculations a full interpretation of all
                      Raman lines of the bulk single crystal is achieved. Apart
                      from a small confinement-induced line broadening, the peak
                      positions and normalized peak intensities of the Raman
                      spectra of the nanoconfined and macroscopic crystals are
                      identical. Interestingly, the Raman scattering experiment
                      indicates the existence of comparatively large, 10–20 m,
                      single-crystalline regions of Ba(NO3)2 embedded in the
                      porous host, near three orders of magnitude larger than the
                      average size of single nanopores. This is contrast to the
                      initial assumption of non-interconnected pores. It rather
                      indicates an inter-pore propagation of the crystallization
                      front, presumably via microporosity in the pore walls.},
      cin          = {IBI-2 / IBI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IBI-2-20200312 / I:(DE-Juel1)IBI-3-20200312},
      pnm          = {5243 - Information Processing in Distributed Systems
                      (POF4-524) / 5241 - Molecular Information Processing in
                      Cellular Systems (POF4-524)},
      pid          = {G:(DE-HGF)POF4-5243 / G:(DE-HGF)POF4-5241},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {35316625},
      UT           = {WOS:000820827500008},
      doi          = {10.1016/j.saa.2022.121157},
      url          = {https://juser.fz-juelich.de/record/910216},
}