---
res:
  bibo_abstract:
  - We have carried out an extensive search for stable polymorphs of carbon nitride
    with C3N5 stoichiometry using the minima hopping method. Contrary to the widely
    held opinion that stacked{,} planar{,} graphite-like structures are energetically
    the most stable carbon nitride polymorphs for various nitrogen contents{,} we
    find that this does not apply for nitrogen-rich materials owing to the high abundance
    of N–N bonds. In fact{,} our results disclose novel morphologies with moieties
    not previously considered for C3N5. We demonstrate that nitrogen-rich compounds
    crystallize in a large variety of different structures due to particular characteristics
    of their energy landscapes. The newly found low-energy structures of C3N5 have
    band gaps within good agreement with the values measured in experimental studies.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Alireza
      foaf_name: Ghasemi, Alireza
      foaf_surname: Ghasemi
      foaf_workInfoHomepage: http://www.librecat.org/personId=77282
  - foaf_Person:
      foaf_givenName: Hossein
      foaf_name: Mirhosseini, Hossein
      foaf_surname: Mirhosseini
      foaf_workInfoHomepage: http://www.librecat.org/personId=71051
    orcid: 0000-0001-6179-1545
  - foaf_Person:
      foaf_givenName: Thomas
      foaf_name: Kühne, Thomas
      foaf_surname: Kühne
      foaf_workInfoHomepage: http://www.librecat.org/personId=49079
  bibo_doi: 10.1039/D0CP06185A
  bibo_volume: 23
  dct_date: 2021^xs_gYear
  dct_language: eng
  dct_publisher: The Royal Society of Chemistry@
  dct_title: 'Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides:
    a C3N5 study@'
...