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Ab initio studies of vacancies in (8,0) and (8,8) single-walled carbon and boron nitride nanotubes

Author: Mashapa, MG ; Chetty, N ; Ray, Suprakas S Date: Sep 2012 A 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
A DFT study of two-dimensional CdS/TiS2 on isotropic chalcogenide AgSbTe2 thermoelectric material: Electronic charge transfer and optical properties

Author: Kiarii, EM ; Govender, Krishna K ; Mamo, MA ; Govender, PP Date: Aug 2022 Calculations 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
Nanocauliflower like structure of CdS thin film for solar cell photovoltaic applications: Insitu tin doping by chemical bath deposition technique

Author: Wilson, KC ; Manikandan, E ; Basheer Ahamed, M ; Mwakikunga, Bonex W Date: 2014 We 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
Vacancy complexes in carbon and boron nitride nanotubes

Author: Mashapa, MG ; Chetty, N ; Ray, Suprakas S Date: Oct 2012 The 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

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Browsing by Subject "Electronic properties"

Browsing by Subject "Electronic properties"

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