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Showing 3 out of a total of 3 results for community: Physics.
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Ab initio studies of bimetallic-doped {0001} hematite surface for enhanced photoelectrochemical water splitting
Simfukwe, Joseph
;
Mapasha, Refilwe Edwin
;
Braun, Artur
;
Diale, M. (Mmantsae Moche)
(
MDPI
,
2021-08
)
Enhancement of lithiation on a graphane monolayer through extended H vacancy pathways : an ab initio study
Kgalema, Sentserere Phodisho
;
Diale, M. (Mmantsae Moche)
;
Igumbor, Emmanuel
;
Mapasha, Refilwe Edwin
(
Elsevier
,
2024-01
)
Exploring the stability and electronic properties of Zn-doped hematite surfaces for photoelectrochemical water splitting
Simfukwe, Joseph
;
Mapasha, Refilwe Edwin
;
Braun, Artur
;
Diale, M. (Mmantsae Moche)
(
Elsevier
,
2020-01
)
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Author
Diale, M. (Mmantsae Moche) (3)
Braun, Artur (2)
Mapasha, Refilwe Edwin (2)
Simfukwe, Joseph (2)
Igumbor, Emmanuel (1)
Kgalema, Sentserere Phodisho (1)
Mapasha, Refilwe Edwin (1)
Subject
Density functional theory (DFT) (2)
Band gap (1)
Bandgap (1)
Bimetallic doping (1)
First principles (1)
Graphane (1)
Hematite (α-Fe2O3) (1)
Hydrogen vacancies (1)
Li-ions batteries (1)
Lithiation potential (1)
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2020 (1)
2021 (1)
2024 (1)
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