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Nanoscale structure prediction

We are applying techniques in Ab Initio Random Structure Searching to predict structures of the smallest possible "extreme nanowires" - crystals formed inside carbon nanotubes.

Crystal - nanotube interactions

Ongoing work, illustrated above, is exploring how charge transfer between nanotube and filling can alter the symmetry of encapsulated 1d crystals.



Funding Awarded

The EPSRC have awarded a 5-year Established Career Fellowship to Dr Jeremy Sloan to study the Crystallography and Functional Evolution of Atomically Thin Confined Nanowires and also nC-PCMs. This project will add new contributions from Project Partners in Beijing, Warsaw, Oxford, Pau and Vienna.

Paper published - structure of Te@CNT

Work by Paulo Medeiros (theory) and Sam Marks (experiment) demonstrating structural selectivity of Te nanowires inside extremely narrow CNTs has been published in ACS Nano.


Calculated nanotube filling

Extreme nanowires with helical symmetry

A recent study reveals nanowires of a single element exhibiting helical symmetry, winding along the inside of a carbon nanotube.