Hart, M;
White, ER;
Chen, J;
McGilvery, CM;
Pickard, CJ;
Michaelides, A;
Sella, A;
... Salzmann, CG; + view all
(2017)
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes.
Angewandte Chemie International Edition
, 56
(28)
pp. 8144-8149.
10.1002/anie.201703585.
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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.
| Type: | Article |
|---|---|
| Title: | Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes |
| Location: | Germany |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1002/anie.201703585 |
| Publisher version: | http://doi.org/10.1002/anie.201703585 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Allotropy, density functional calculations, nanotubes, phosphorus, polymerization |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1559984 |
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