Density functional studies of nanomaterials with applications in electronic devices and hydrogen storage

We present density functional calculations investigating two different nanomaterials: a titanium carbide nanocluster and few-layered black phosphorus. The titanium carbide nanocluster, Ti₈C₁₂, has properties that are well suited to applications in hydrogen storage, while few-layered black phosphorus...

Full description

Bibliographic Details
Main Author: Morgan Stewart, H.
Other Authors: Catlow, C. R. A. ; Guo, X.
Published: University College London (University of London) 2016
Subjects:
540
Online Access:https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.763125