Journal Article

FZJ-2020-02725

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Changing the Phosphorus Allotrope from a Square Columnar Structure to a Planar Zigzag Nanoribbon by Increasing the Diameter of Carbon Nanotube Nanoreactors

Zhang, J. (Corresponding author) ; Fu, C. ; Song, S. ; Du, H.FZJ* ; Zhao, D. ; Huang, H. ; Zhang, L. ; Guan, J. ; Zhang, Y. ; Zhao, X. ; Ma, C. ; Jia, C.-L.FZJ* ; Tománek, D.

2020
ACS Publ. Washington, DC

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Please use a persistent id in citations: http://hdl.handle.net/2128/25448  doi:10.1021/acs.nanolett.9b04741

Abstract: Elemental phosphorus nanostructures are notorious for a large number of allotropes, which limits their usefulness as semiconductors. To limit this structural diversity, we synthesize selectively quasi-1D phosphorus nanostructures inside carbon nanotubes (CNTs) that act both as stable templates and nanoreactors. Whereas zigzag phosphorus nanoribbons form preferably in CNTs with an inner diameter exceeding 1.4 nm, a previously unknown square columnar structure of phosphorus is observed to form inside narrower nanotubes. Our findings are supported by electron microscopy and Raman spectroscopy observations as well as ab initio density functional theory calculations. Our computational results suggest that square columnar structures form preferably in CNTs with an inner diameter around 1.0 nm, whereas black phosphorus nanoribbons form preferably inside CNTs with a 4.1 nm inner diameter, with zigzag nanoribbons energetically favored over armchair nanoribbons. Our theoretical predictions agree with the experimental findings

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Contributing Institute(s):

1. Physik Nanoskaliger Systeme (ER-C-1)

Research Program(s):

1. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2020

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 10 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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