Zobrazeno 1 - 10
of 118
pro vyhledávání: '"Phuti E, Ngoepe"'
Autor:
Brian Ramogayana, David Santos-Carballal, Khomotso P. Maenetja, Nora H. de Leeuw, Phuti E. Ngoepe
Publikováno v:
ACS Omega, Vol 6, Iss 44, Pp 29577-29587 (2021)
Externí odkaz:
https://doaj.org/article/e5338079a9eb4da297ad8bef5cae6f8e
Autor:
Peace P. Mkhonto, Phuti E. Ngoepe
Publikováno v:
ACS Omega. 7:43390-43410
Cooperite (PtS) is one of the main sources of platinum in the world and has not been given much attention, in particular from the computational aspect. Besides, the surface stability of cooperite is not fully understood, in particular the preferred s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ba8a8ad170fcc7f16dd39c77e4c3b06
https://doi.org/10.1021/acsomega.2c02867
https://doi.org/10.1021/acsomega.2c02867
Autor:
Khomotso P. Maenetja, Phuti E. Ngoepe
Publikováno v:
ACS Omega. 7:25991-25998
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e5fbfc9e247583c175aa48fa389db78a
https://doi.org/10.1021/acsomega.1c05990
https://doi.org/10.1021/acsomega.1c05990
Autor:
H. R. Chauke, Charles Richard Catlow, Scott M. Woodley, Phuti E. Ngoepe, Tshegofatso M. Phaahla, Alexey A. Sokol
Publikováno v:
South African Journal of Chemistry; Vol. 74 (2021); 17–22
Molecular dynamics simulations were performed to investigate the stability with respect to increasing the simulated temperature from 300 to 2400 K of an isolated cluster composed of 32 titanium atoms. The interatomic interactions were modelled using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef42faf973248e9d7855103ad0284be8
https://www.ajol.info/index.php/sajc/article/view/240973
https://www.ajol.info/index.php/sajc/article/view/240973
Publikováno v:
Theoretical Chemistry Accounts. 142
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6f2a8843b944d766d2424fbb7327b470
https://doi.org/10.1007/s00214-022-02951-0
https://doi.org/10.1007/s00214-022-02951-0
Publikováno v:
Minerals, Vol 5, Iss 4, Pp 665-678 (2015)
Ab initio density functional theory was used to investigate the adsorption of oxygen molecule on the nickel-rich pentlandite (110) surface, which is important for mineral extraction. The three most reactive adsorption sites: Fe-top, Ni-top, and fcc-h
Externí odkaz:
https://doaj.org/article/c41ddca915914224aeff36ac7809dbbb
Publikováno v:
Surfaces and Interfaces. 38:102820
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::526f77e250b42c32ad98d0411928e304
https://doi.org/10.1016/j.surfin.2023.102820
https://doi.org/10.1016/j.surfin.2023.102820
Publikováno v:
Computational Materials Science. 224:112174
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::46b4a0e1400f6105f7e57db1ad6a9d63
https://doi.org/10.1016/j.commatsci.2023.112174
https://doi.org/10.1016/j.commatsci.2023.112174
Publikováno v:
Journal of Materials Research. 36:592-601
Adsorption of halogen on the metal surface has received much attention due to its technological applications and major relevance for material surface processing, corrosion protection and etching. In this work, first-principle approach was used to inv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9afea51552405ed2a3055d161b206aa7
https://doi.org/10.1557/s43578-021-00106-8
https://doi.org/10.1557/s43578-021-00106-8
Publikováno v:
Materials Today: Proceedings. 38:1071-1076
TiPd alloys have been suggested for commercial applications due to their high strength and good corrosion resistance. An improvement upon its stability through alloying with Ru requires an understanding of its thermodynamics, which currently is not c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c04ad29a975f81c05f49fa282665a54
https://doi.org/10.1016/j.matpr.2020.05.806
https://doi.org/10.1016/j.matpr.2020.05.806