Structural and stability of B2 FeCo1-XVX and Fe1-XCoVX systems: Cluster expansion approach

Autor: TM Ledwaba, RG Diale, PE Ngoepe, HR Chauke

Publikováno v: Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie. 40:98-101

Fe-Co alloys are considered good candidates for high-temperature applications due to their high saturation magnetisation and Curie temperature. However, these alloys show low levels of ductility at room temperature. In this study, cluster expansion w

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b3076e7dff0599476ae3dffa717c307a
https://doi.org/10.36303/satnt.2021cosaami.19

Adsorption-desorption of F2 diatomic molecule on Ti (100) surface at different coverages

Autor: DM Tshwane, R Modiba, G Govender, PE Ngoepe, HR Chauke

Publikováno v: Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie. 40:200-204

Fluorine molecules and ions are used as an etchant for metal surface processing. The presence of fluorine significantly influences the electrochemical behaviour on a metal surface, which has major relevance for etching, corrosion, electro-catalysis a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::350e26ce9a83d0a705f94885a07eeb67
https://doi.org/10.36303/satnt.2021cosaami.38

Computational modelling studies for high temperature monazite systems

Autor: L Motsomone, RG Diale, PE Ngoepe, R Koen, HR Chauke

Publikováno v: Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie. 40:56-59

Monazite is widely considered as a potential source of fissile feedstock for nuclear power generation, as it generally contains significant quantity of thorium (Th), uranium (U) and rare earth elements (REEs) within the mineral ore structure. Current

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0c5989b0dfd9fb6b7c458864a12bb531
https://doi.org/10.36303/satnt.2021cosaami.11

Materials modelling in the University of Limpopo.

Autor: Ngoepe PE; Materials Modelling Centre, University of Limpopo, Private Bag x1106, Sovenga 0727, South Africa., Chadwick AV; School of Physical Sciences, University of Kent, Canterbury CT2 7NZ, UK., Sithole HM; The Center for High Performance Computing, Council for Scientific and Industrial Research, Meiring Naude Street, Brummeria 0001, South Africa., Mokhele KDK; Hans Merensky Holdings, Saxonworld, Johannesburg 2132, South Africa., Catlow CRA; Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK.; School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT, UK.

Publikováno v: Interface focus [Interface Focus] 2024 Aug 09; Vol. 14 (4), pp. 20240005. Date of Electronic Publication: 2024 Aug 09 (Print Publication: 2024).

Reconstruction of Cooperite (PtS) Surfaces: A DFT-D+U Study.

Autor: Mkhonto PP; Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga0727, South Africa., Ngoepe PE; Materials Modelling Centre, University of Limpopo, Private Bag X1106, Sovenga0727, South Africa.

Publikováno v: ACS omega [ACS Omega] 2022 Nov 24; Vol. 7 (48), pp. 43390-43410. Date of Electronic Publication: 2022 Nov 24 (Print Publication: 2022).