27 September 2010 to 1 October 2010
CSIR Convention Centre
Africa/Johannesburg timezone

First principles studies of electronic and structural properties of defects in boronitrene

Not scheduled
CSIR Convention Centre

CSIR Convention Centre

CSIR, Pretoria
Presentation Track A - Condensed Matter Physics and Material Science

Speaker

Mr Bongani Ngwenya (University of Pretoria)

Description

We study the impact of C substitutional atoms, B and N atom swapping and vacancies, and some adatoms on electronic and structural properties of boronitrene (2D boron nitride) using the VASP code. The generalized gradient approximation is the initially used exchange correlation functional. Our results show good agreement with literature.

Primary author

Mr Bongani Ngwenya (University of Pretoria)

Co-author

Prof. Nithaya Chetty (University of Pretoria)

Presentation Materials

There are no materials yet.