Electronic Structure Control of Sub-Nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes
Research output: Contribution to journal › Article
Nanostructuring, e.g. reduction of dimensionality in materials offers a viable route towards regulation of materials electronic and hence functional properties. Here, we present the extreme case of nanostructuring, exploiting capillarity of single-walled carbon nanotubes (SWCNTs) for synthesis of the smallest possible SnTe nanowires with cross sections as small as a single atom column. We demonstrate that by choosing the appropriate diameter of a template SWCNT, we can manipulate the structure of the quasi-one-dimensional (1D) SnTe and to design electronic behaviour. From first principles, we predict structural reformations SnTe undergoes in varying encapsulation and confront the prediction with TEM imagery. To further illustrate the control of physical properties by nanostructuring we study the evolution of transport properties in a homologous series of models of synthesised and isolated SnTe nanowires varying only by morphology and atomic layer thickness. This extreme scaling is predicted to significantly enhance thermoelectric performance of SnTe, offering a prospect for further experimental studies and future applications. KEYWORDS: nanostructuring, nanowires, encapsulation, carbon nanotubes, crystal structure prediction, transport, thermoelectrics.
|Number of pages||9|
|Early online date||21 May 2018|
|Publication status||Published - 26 Jun 2018|