The Covalent Functionalization of Layered Black Phosphorus by Nucleophilic Reagents

Zdeněk Sofer, Jan Luxa, Daniel Bouša, David Sedmidubský, Petr Lazar, Tomáš Hartman, Hilde Hardtdegen, Martin Pumera

Research output: Contribution to journalArticlepeer-review

142 Citations (Scopus)


Layered black phosphorus has been attracting great attention due to its interesting material properties which lead to a plethora of proposed applications. Several approaches are demonstrated here for covalent chemical modifications of layered black phosphorus in order to form P−C and P-O-C bonds. Nucleophilic reagents are highly effective for chemical modification of black phosphorus. Further derivatization approaches investigated were based on radical reactions. These reagents are not as effective as nucleophilic reagents for the surface covalent modification of black phosphorus. The influence of covalent modification on the electronic structure of black phosphorus was investigated using ab initio calculations. Covalent modification exerts a strong effect on the electronic structure including the change of band-gap width and spin polarization.

Original languageEnglish
Pages (from-to)9891-9896
Number of pages6
JournalAngewandte Chemie - International Edition
Issue number33
Publication statusPublished - 2017 Aug 7

Bibliographical note

Publisher Copyright:
© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)


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