Encapsulation and polymerization of white phosphorus inside single-wall carbon nanotubes
File(s)
Accepted version
Author(s)
Type
Journal Article
Abstract
Elemental phosphorus displays an impressive number of allotropes with highly diverse chemical and physical properties. White phosphorus has now been filled into single-wall carbon nanotubes (SWCNTs) from the liquid and thereby stabilized against the highly exothermic reaction with atmospheric oxygen. The encapsulated tetraphosphorus molecules were visualized with transmission electron microscopy, but found to convert readily into chain structures inside the SWCNT “nanoreactors”. The energies of the possible chain structures were determined computationally, highlighting a delicate balance between the extent of polymerization and the SWCNT diameter. Experimentally, a single-stranded zig-zag chain of phosphorus atoms was observed, which is the lowest energy structure at small confinement diameters. These one-dimensional chains provide a glimpse into the very first steps of the transformation from white to red phosphorus.
Date Issued
2017-06-12
Date Acceptance
2017-05-18
Citation
Angewandte Chemie International Edition, 2017, 56 (28), pp.8144-8148
ISSN
1521-3757
Publisher
Wiley
Start Page
8144
End Page
8148
Journal / Book Title
Angewandte Chemie International Edition
Volume
56
Issue
28
Copyright Statement
© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is the accepted version of the following article, which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1002/anie.201703585/abstract
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000404140900017&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
allotropy
density functional calculations
nanotubes
phosphorus
polymerization
BLACK PHOSPHORUS
RED PHOSPHORUS
CHAINS
P-4
NANOREACTORS
MOLECULES
PRESSURE
ENERGY
ROUTE
PHASE
Publication Status
Published