Speaker
Description
We present an overview of some of our recent DFT studies of bulk solid-state systems, of Iron, metal-oxide and alloys, as well as two-dimensional silicene. In particular, we show the applications of x-ray absorption near-edge spectroscopy (XANES) to elucidate the physical and chemical properties of these materials. We show the possibility to induce novel-magnetic properties in silicene through small transition-metal vanadium cluster inclusion. Furthermore, we describe albeit briefly, our recent collaborative work on rare-earth oxides nanostructures. Finally, the central role of high-performance Linux clusters at the CHPC (South Africa) in our computational studies and in facilitating research collaborations within Africa and beyond is discussed.
| Student or Postdoc? | No. Not a student nor Postdoc. |
|---|
