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Lattice Opening upon Bulk Reductive Covalent Functionalization of Black Phosphorus.

Stefan WildMichael FickertAleksandra MitrovicVicent LloretChristian NeissJosé Alejandro Vidal-MoyaMiguel Ángel Rivero-CrespoAntonio Leyva PérezKatharina WerbachHerwig PeterlikMathias GrabauHaiko WittkämperChristian PappHans-Peter SteinrückThomas PichlerAndreas GörlingFrank HaukeGonzalo AbellánAndreas Hirsch
Published in: Angewandte Chemie (International ed. in English) (2019)
The chemical bulk reductive covalent functionalization of thin-layer black phosphorus (BP) using BP intercalation compounds has been developed. Through effective reductive activation, covalent functionalization of the charged BP by reaction with organic alkyl halides is achieved. Functionalization was extensively demonstrated by means of several spectroscopic techniques and DFT calculations; the products showed higher functionalization degrees than those obtained by neutral routes.
Keyphrases
  • molecular docking
  • density functional theory
  • molecular dynamics
  • ionic liquid