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Atomic structure of the continuous random network of amorphous C[(C6H4)2]2, PAF-1

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 نشر من قبل Anthony Phillips
 تاريخ النشر 2021
  مجال البحث فيزياء
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We demonstrate that the amorphous material PAF-1, C[(C6H4)2]2, forms a continuous random network in which tetrahedral carbon sites are connected by 4,4-biphenyl linkers. Experimental neutron total scattering measurements on deuterated, hydrogenous, and null-scattering samples agree with molecular dynamics simulations based on this model. From the MD model, we are able for the first time to interrogate the atomistic structure. The small-angle scattering is consistent with Porod scattering from particle surfaces, of the form Q^{-4}, where Q is the scattering vector. We measure a distinct peak in the scattering at Q = 0.45 {AA}^{-1}, corresponding to the first sharp diffraction peak in amorphous silica, which indicates the structural analogy between these two amorphous tetrahedral networks.


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