Phuti Ngoepe
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Structural and electronic properties of lithium intercalated graphite
KR Kganyago, PE Ngoepe
Physical Review B 68 (20), 205111, 2003
Structure and properties of ilmenite from first principles
NC Wilson, J Muscat, D Mkhonto, PE Ngoepe, NM Harrison
Physical review B 71 (7), 075202, 2005
Modeling the Surface Structure and Reactivity of Pyrite:  Introducing a Potential Model for FeS2
NH De Leeuw, SC Parker, HM Sithole, PE Ngoepe
The Journal of Physical Chemistry B 104 (33), 7969-7976, 2000
Predicting the Electrochemical Properties of MnO2 Nanomaterials Used in Rechargeable Li Batteries: Simulating Nanostructure at the Atomistic Level
TXT Sayle, RR Maphanga, PE Ngoepe, DC Sayle
Journal of the American Chemical Society 131 (17), 6161-6173, 2009
Generating MnO2 Nanoparticles Using Simulated Amorphization and Recrystallization
TXT Sayle, CRA Catlow, RR Maphanga, PE Ngoepe, DC Sayle
Journal of the American Chemical Society 127 (37), 12828-12837, 2005
The displacive phase transition of vanadium dioxide and the effect of doping with tungsten
M Netsianda, PE Ngoepe, CRA Catlow, SM Woodley
Chemistry of Materials 20 (5), 1764-1772, 2008
Link between structural and mechanical stability of fcc-and bcc-based ordered Mg–Li alloys
MJ Phasha, PE Ngoepe, HR Chauke, DG Pettifor, D Nguyen-Mann
Intermetallics 18 (11), 2083-2089, 2010
Lithium and oxygen adsorption at the β-MnO 2 (110) surface
TA Mellan, KP Maenetja, PE Ngoepe, SM Woodley, CRA Catlow, ...
Journal of Materials Chemistry A 1 (47), 14879-14887, 2013
Behavior of elastic constants, refractive index, and lattice parameter of cubic zirconia at high temperatures
PJ Botha, JCH Chiang, JD Comins, PM Mjwara, PE Ngoepe
Journal of applied physics 73 (11), 7268-7274, 1993
Structural, elastic and electronic properties of equiatomic PtTi as potential high-temperature shape memory alloy
R Mahlangu, MJ Phasha, HR Chauke, PE Ngoepe
Intermetallics 33, 27-32, 2013
Theoretical investigation of the Pt3Al ground state
HR Chauke, B Minisini, R Drautz, D Nguyen-Manh, PE Ngoepe, ...
Intermetallics 18 (4), 417-421, 2010
Solid-state transformation in nanocrystalline Ti induced by ball milling
MJ Phasha, AS Bolokang, PE Ngoepe
Materials Letters 64 (10), 1215-1218, 2010
Ab initio calculation of the voltage profile for LiC6
KR Kganyago, PE Ngoepe, CRA Catlow
Solid State Ionics 159 (1-2), 21-23, 2003
Electronic structure and stability of the pentlandites and
HR Chauke, D Nguyen-Manh, PE Ngoepe, DG Pettifor, SG Fries
Physical Review B 66 (15), 155105, 2002
High‐temperature elastic constants of yttrium aluminum garnet
PR Stoddart, PE Ngoepe, PM Mjwara, JD Comins, GA Saunders
Journal of applied physics 73 (11), 7298-7301, 1993
Atomistic simulation of the surface structure of electrolytic manganese dioxide
RR Maphanga, SC Parker, PE Ngoepe
Surface science 603 (21), 3184-3190, 2009
Negative compressibility in platinum sulfide using density-functional theory
A Marmier, PS Ntoahae, PE Ngoepe, DG Pettifor, SC Parker
Physical Review B 81 (17), 172102, 2010
Atomistic simulation of the structure and elastic properties of pyrite (FeS2) as a function of pressure
HM Sithole, PE Ngoepe, K Wright
Physics and chemistry of minerals 30, 615-619, 2003
Brillouin-scattering and computer-simulation studies of fast-ion conductors: a review
JD Comins, PE Ngoepe, CRA Catlow
Journal of the Chemical Society, Faraday Transactions 86 (8), 1183-1192, 1990
A computer modelling study of the interaction of organic adsorbates with fluorapatite surfaces
D Mkhonto, PE Ngoepe, TG Cooper, NH de Leeuw
Physics and chemistry of minerals 33, 314-331, 2006
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