A collaboration paper on encapsulated phosphorus accepted at Angewandte Chemie.

A new promising high-energy nanomaterial, based on encapsulated phosphorus, has been realised experimentally by Christoph Salzmann’s group and other collaborators at UCL and Imperial. They have cleverly filled phosphorus into single walled carbon nanotubes and characterised the structures and phase transitions. Built on our previous strategy of DFT simulations with empirical confinements and random structure search, we are able to rationalise the structures and energies of various confined phosphorus structures. This collaborative work has just been accepted at Angewandte Chemie.

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