Auflistung nach Schlagwort "Lone electron pair"

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  • Strontium doping in mullite-type bismuth aluminate: A vacancy investigation using neutrons, photons and electrons 
    Gesing, Thorsten M.; Schowalter, Marco; Weidenthaler, Claudia; Murshed, M. Mangir; Nénert, Gwilherm; Mendive, Cecilia B.; Curti, Mariano; Rosenauer, Andreas; Buhl, Josef-Christian; Schneider, Hartmut; Fischer, Reinhard X. (Cambridge : Royal Society of Chemistry, 2012)
    We report on strontium doped dibismuth-nonaoxoaluminate(III) produced at 1023 K. Partial substitution of bismuth by strontium in the structure yields oxygen vacancies for charge balance. Introducing oxygen vacancies ...
  • Structural, vibrational and electronic properties of SnMBO4 (M = Al, Ga): A predictive hybrid DFT study 
    Curti, Mariano; Mendive, Cecilia B.; Bredow, Thomas; Mangir, Murshed, M.; Gesing, Thorsten M. (Bristol : Institute of Physics Publishing, 2019)
    We propose two new members of the mullite-type family, SnAlBO4 and SnGaBO4, and carry out an in-depth study of their crystal properties using the hybrid method PW1PW. Both are isostructural to PbMBO4 (M = Fe, Mn, Al, Ga), ...