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"Missing" One-Dimensional Red-Phosphorus Chains Encapsulated within Single-Walled Carbon Nanotubes.

D V Rybkovskiy1,2, V O Koroteev3, A Impellizzeri4

  • 1Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, Building 1, 121205 Moscow, Russia.

ACS Nano
|April 4, 2022
PubMed
Summary

Researchers discovered novel 1D-phosphorus chains within carbon nanotubes. This finding reveals new red phosphorus allotropes confined in nanoscale materials, advancing materials science.

Keywords:
Raman scatteringallotropecarbon nanotube fillingdensity functional theoryencapsulationphosphorustransmission electron microscopy

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Solid-State Chemistry

Background:

  • Single-walled carbon nanotubes (SWCNTs) are explored as nanoscale reaction vessels.
  • Understanding the behavior of elements confined within nanotubes is crucial for novel material synthesis.

Purpose of the Study:

  • To identify and characterize the "missing" 1D-phosphorus allotrope.
  • To investigate phosphorus condensation within intermediate diameter SWCNTs (1.6-2.9 nm).

Main Methods:

  • Experimental techniques: Thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS), High-resolution transmission electron microscopy (HRTEM), Energy dispersive X-ray spectroscopy (EDS).
  • Theoretical methods: Density functional theory (DFT) simulations.
  • Spectroscopic analysis: Low-frequency Raman spectroscopy.

Main Results:

  • Identification of linear P8]P2 and cross-linked double-chains of red phosphorus inside SWCNTs.
  • Elemental phosphorus content estimated at ~7 atom % within the SWCNTs.
  • HRTEM and DFT simulations confirmed the chain structures and packing density.
  • A unique spectroscopic signature for phosphorus chain cross-linking was identified.

Conclusions:

  • The study successfully identified confined 1D-phosphorus allotropes within SWCNTs.
  • Results provide a comprehensive understanding of phosphorus behavior and structure dependence on nanotube diameter.
  • This work opens new avenues for exploring confined elemental forms and their properties.