Imperial College London

Prof Milo Shaffer

Faculty of Natural SciencesDepartment of Chemistry

Professor of Materials Chemistry



+44 (0)20 7594 5825m.shaffer Website




Mr John Murrell +44 (0)20 7594 2845




M221Royal College of ScienceSouth Kensington Campus






BibTex format

author = {Hart, M and White, ER and Chen, J and McGilvery, CM and Pickard, CJ and Michaelides, A and Sella, A and Shaffer, MSP and Salzmann, CG},
doi = {10.1002/anie.201703585},
journal = {Angewandte Chemie International Edition},
pages = {8144--8148},
title = {Encapsulation and polymerization of white phosphorus inside single-wall carbon nanotubes},
url = {},
volume = {56},
year = {2017}

RIS format (EndNote, RefMan)

AB - 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.
AU - Hart,M
AU - White,ER
AU - Chen,J
AU - McGilvery,CM
AU - Pickard,CJ
AU - Michaelides,A
AU - Sella,A
AU - Shaffer,MSP
AU - Salzmann,CG
DO - 10.1002/anie.201703585
EP - 8148
PY - 2017///
SN - 1521-3757
SP - 8144
TI - Encapsulation and polymerization of white phosphorus inside single-wall carbon nanotubes
T2 - Angewandte Chemie International Edition
UR -
UR -
UR -
VL - 56
ER -