Author:Mashapa, MG; Chetty, N; Ray, Suprakas SDate:Sep 2012A systematic study of vacancies in single-walled carbon nanotubes and boron nitride nanotubes was carried out. First principles calculations within the framework of density functional theory using the CASTEP code are used to optimize fully ...Read more
Author:Kiarii, EM; Govender, Krishna K; Mamo, MA; Govender, PPDate:Aug 2022Calculations of AgSbTe2 thermoelectric material and 2d CdS/TiS2 and their heterostructures were carried out using Density Functional Theory in Cambridge Serial Total Energy Package code as implemented in Material Studio 2018 software. The ...Read more
Author:Wilson, KC; Manikandan, E; Basheer Ahamed, M; Mwakikunga, Bonex WDate:2014We report on surface morphology changes of in situ tin (Sn) doped cadmium sulphide (CdS) thin film nanostructures prepared on a glass substrate using the chemical bath deposition (CBD) technique. Sn-doping in the presence of triethanolammine ...Read more
Author:Mashapa, MG; Chetty, N; Ray, Suprakas SDate:Oct 2012The effect of divacancies on the stability, structural and electronic properties of carbon and boron nitride nanotubes is studied using the ab initio density functional method. VBBN is more stable in the boron-rich and less stable in the ...Read more