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Phosphorene and Black Phosphorus: the P NMR View.

08:00 EDT 14th August 2019 | BioPortfolio

Summary of "Phosphorene and Black Phosphorus: the P NMR View."

This work aims at characterizing for the first time the 31P spin interactions determining the Nuclear Magnetic Resonance (NMR) properties of solid black phosphorus (bP) and of its few-layer exfoliated form (fl-bP). Indeed, the knowledge of these properties is still very poor, in spite of the great interest received by this layered phosphorus allotrope and its exfoliated 2D form, phosphorene. By combining Density Functional Theory (DFT) calculations and Solid State NMR experiments on suspensions of fl-bP nanoflakes and on solid bP, it has been possible to characterize the 31P homonuclear dipolar and chemical shift interactions, identifying the network of 31P nuclei more strongly dipolarly coupled and highlighting two kinds of magnetically non-equivalent 31P nuclei. These results add an important missing piece of information to the fundamental chemico-physical knowledge of bP and support future extensive applications of NMR spectroscopy to the characterization of phosphorene-based materials.

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Name: The journal of physical chemistry letters
ISSN: 1948-7185
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