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Showing 33 out of a total of 33 results for community: Physics.
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Exploring the stability and electronic structure of beryllium and sulphur co-doped graphene : a first principles study
Olaniyan, Okikiola
;
Mapasha, Refilwe Edwin
;
Momodu, Damilola Y.
;
Madito, M.J. (Moshawe)
;
Kahleed, A.A.
;
Ugbo, F.U.
;
Bello, Abdulhakeem
;
Barzegar, Farshad
;
Oyedotun, Kabir Oyeniran
;
Manyala, Ncholu I.
(
Royal Society of Chemistry
,
2016-09
)
Ab initio studies of isolated hydrogen vacancies in graphane
Mapasha, Refilwe Edwin
;
Molepo, Mahlanga P.
;
Chetty, Nithaya
(
Elsevier
,
2016-05
)
The carbon-substitutional-carbon-interstitial (CsCi) defect pair in silicon from hybrid functional calculations
Ouma, C.N.M.
;
Meyer, Walter Ernst
(
Elsevier
,
2016-06
)
Ab initio study of the effect of hydrogen passivation on boron-oxygen-carbon related defect complexes in silicon
Abdurrazaq, Abdulgaffar
;
Raji, Abdulrafiu T.
;
Meyer, Walter Ernst
(
Elsevier
,
2020-05
)
Defect charge states in Si doped hexagonal boron-nitride monolayer
Mapasha, Refilwe Edwin
;
Molepo, Mahlanga P.
;
Andrew, Richard Charles
;
Chetty, Nithaya
(
IOP Publishing
,
2016-02
)
A first principle hybrid functional calculation of TmGe 3+-VGe defect complexes in germanium
Igumbor, Emmanuel
;
Mapasha, Refilwe Edwin
;
Andrew, Richard Charles
;
Meyer, Walter Ernst
(
Elsevier
,
2016-09
)
Ab-initio study of germanium di-interstitial using a hybrid functional (HSE)
Igumbor, Emmanuel
;
Ouma, C.N.M.
;
Webb, Geoffrey
;
Meyer, Walter Ernst
(
Elsevier
,
2016-01
)
Rare earth interstitial-complexes in Ge : hybrid density functional studies
Igumbor, Emmanuel
;
Omotoso, Ezekiel
;
Danga, Helga Tariro
;
Tunhuma, Shandirai Malven
;
Meyer, Walter Ernst
(
Elsevier
,
2017-10
)
Rare earth substitutional impurities in germanium : a hybrid density functional theory study
Igumbor, Emmanuel
;
Omotoso, Ezekiel
;
Tunhuma, Shandirai Malven
;
Danga, Helga Tariro
;
Meyer, Walter Ernst
(
Elsevier
,
2017-10
)
Trivalent atom defect-complex induced defect levels in germanium for enhanced Ge-based device performance
Igumbor, Emmanuel
;
Dongho-Nguimdo, Moise
;
Mapasha, Refilwe Edwin
;
Kalimuthu, Rajendran
;
Raji, Abdulrafiu
;
Meyer, Walter Ernst
(
Springer
,
2024-04
)
Study of ultra-hard materials of the B-C-N-O quaternary system
Habanyama, A.
;
Msikita, M.
;
Simfukwe, Joseph
;
Baliga, B.T.
;
Mumba, N.K.
;
Mulenga, M.
;
Samukonga, G.
(
Elsevier
,
2018-12
)
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
)
Ab initio studies of isolated boron substitutional defects in graphane
Mapasha, Refilwe Edwin
;
Chetty, Nithaya
(
IOP Publishing Limited
,
2017
)
First-principles studies of Te line-ordered alloys in a MoS2 monolayer
Andriambelaza, Noeliarinala Felana
;
Mapasha, Refilwe Edwin
;
Chetty, Nithaya
(
Elsevier
,
2018-04
)
Ab initio study of metastability of Eu3+ defect complexes in GaN
Ouma, C.N.M.
;
Meyer, Walter Ernst
(
Elsevier
,
2014-04
)
Structural and electronic properties of SnS2 stacked nanosheets : an ab-initio study
Mabiala-Poaty, H.B.
;
Douma, D.H.
;
M'Passi-Mabiala, B.
;
Mapasha, Refilwe Edwin
(
Elsevier
,
2018-09
)
Hybrid functional study of hydrogen passivation in carbon-oxygen related defect complexes in silicon
Abdurrazaq, Abdulgaffar
;
Meyer, Walter Ernst
(
Elsevier
,
2019-11
)
A density functional theory insight into structural, mechanical, and optical properties of Rb 2LiTlF 6 double perovskite
Rugut, Elkana K.
;
Maluta, Nnditshedzeni E.
;
Maphanga, Regina R.
;
Mapasha, Refilwe Edwin
;
Kirui, Joseph K.
(
Wiley
,
2024-03
)
First principle study of ATiO 3 (A=Ti,Sr) materials for photovoltaic applications
Allan, Lynet
;
Mulwa, Winfred M.
;
Mapasha, Refilwe Edwin
;
Mwabora, Julius M.
;
Musembi, Robinson J.
(
Springer
,
2024-01
)
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
)
First-principles studies of chromium line-ordered alloys in a molybdenum disulfide monolayer
Andriambelaza, Noeliarinala Felana
;
Mapasha, Refilwe Edwin
;
Chetty, Nithaya
(
IOP Publishing
,
2017-08
)
Li states on a C–H vacancy in graphane : a first-principles study
Mapasha, Refilwe Edwin
;
Molepo, M.P.
;
Chetty, Nithaya
(
Royal Society of Chemistry
,
2017
)
Electrically active induced energy levels and metastability of B and N vacancy-complexes in 4H-SiC
Igumbor, Emmanuel
;
Olaniyan, Okikiola
;
Mapasha, Refilwe Edwin
;
Danga, Helga Tariro
;
Omotoso, Ezekiel
;
Meyer, Walter Ernst
(
IOP Publishing
,
2018-04
)
Electronic properties of vacancies in bilayer graphane
Mapasha, Refilwe Edwin
;
Igumbor, Emmanuel
;
Andriambelaza, Noeliarinala Felana
;
Chetty, Nithaya
(
Elsevier
,
2019-11
)
Band gap engineering of a MoS2 monolayer through oxygen alloying : an ab initio study
Andriambelaza, Noeliarinala Felana
;
Mapasha, Refilwe Edwin
;
Chetty, Nithaya
(
IOP Publishing
,
2018-10
)
Enhancement of electrochemical performance of monolayer SnS2 for Li/Na-ion batteries through a sulphur vacancy : a DFT study
Bekeur, Craig Arthur
;
Mapasha, Refilwe Edwin
(
Springer
,
2023-09
)
The structural properties and photoelectrocatalytic response of Mn-doped hematite photoanodes prepared via a modified electrodeposition approach
Kyesmen, Pannan Isa
;
Simfukwe, Joseph
;
Jubu, Peverga R.
;
Adeola, Adedapo Oluwasanu
;
Diale, M.
(
Wiley
,
2024
)
Van der Waals density functional studies of hydrogenated and lithiated bilayer graphene
Unknown author
(
University of Pretoria
,
2014
)
Density functional theory calculation of monolayer WTe2 transition metal dichalcogenides doped with H, Li and Be
Igumbor, Emmanuel
;
Mapasha, Refilwe Edwin
;
Meyer, Walter Ernst
(
Elsevier
,
2018-04
)
Rare earth interstitials in Ge : a hybrid density functional theory study
Igumbor, Emmanuel
;
Andrew, Richard Charles
;
Meyer, Walter Ernst
(
Springer
,
2017-02
)
Induced defect levels of P and Al vacancy-complexes in 4H-SiC : a hybrid functional study
Igumbor, Emmanuel
;
Olaniyan, Okikiola
;
Mapasha, Refilwe Edwin
;
Danga, Helga Tariro
;
Omotoso, Ezekiel
;
Meyer, Walter Ernst
(
Elsevier
,
2019-01
)
Ab-initio study of MgSe self-interstitial (Mgi and Sei)
Igumbor, Emmanuel
;
Obodo, Kingsley Onyebuchi
;
Meyer, Walter Ernst
(
Trans Tech Publications
,
2016
)
Density functional theory study of Cu doped {0001} and {0112} surfaces of hematite for water splitting
Simfukwe, Joseph
;
Mapasha, Refilwe Edwin
;
Artur Braun
;
Diale, M. (Mmantsae Moche)
(
Cambridge University Press
,
2018-02
)
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Mapasha, Refilwe Edwin (20)
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Igumbor, Emmanuel (11)
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Danga, Helga Tariro (4)
Omotoso, Ezekiel (4)
Simfukwe, Joseph (4)
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Density functional theory (DFT) (33)
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2020 - 2024 (8)
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