Structural and electronic properties of lithium intercalated graphite KR Kganyago, PE Ngoepe
Physical Review B 68 (20), 205111, 2003
216 2003 Structure and properties of ilmenite from first principles NC Wilson, J Muscat, D Mkhonto, PE Ngoepe, NM Harrison
Physical Review B—Condensed Matter and Materials Physics 71 (7), 075202, 2005
159 2005 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
98 2009 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
94 2000 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
93 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
91 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
86 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
62 2013 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
59 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
58 2010 Solid-state transformation in nanocrystalline Ti induced by ball milling MJ Phasha, AS Bolokang, PE Ngoepe
Materials Letters 64 (10), 1215-1218, 2010
57 2010 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
54 1993 Electronic structure and stability of the pentlandites HR Chauke, D Nguyen-Manh, PE Ngoepe, DG Pettifor, SG Fries
Physical Review B 66 (15), 155105, 2002
52 2002 Adsorption mechanisms and effects of thiocarbamate collectors in the separation of chalcopyrite from pyrite minerals: DFT and experimental studies PP Mkhonto, X Zhang, L Lu, W Xiong, Y Zhu, L Han, PE Ngoepe
Minerals Engineering 176, 107318, 2022
49 2022 Ab initio calculation of the voltage profile for LiC6 KR Kganyago, PE Ngoepe, CRA Catlow
Solid State Ionics 159 (1-2), 21-23, 2003
48 2003 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
46 1993 Atomistic simulation of the surface structure of electrolytic manganese dioxide RR Maphanga, SC Parker, PE Ngoepe
Surface science 603 (21), 3184-3190, 2009
45 2009 Negative compressibility in platinum sulfide using density-functional theory A Marmier, PS Ntoahae, PE Ngoepe, DG Pettifor, SC Parker
Physical Review B—Condensed Matter and Materials Physics 81 (17), 172102, 2010
41 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
41 2003 A novel synthetic polymer depressant for the flotation separation of chalcopyrite and galena and insights into its interfacial adsorption mechanism X Zhang, W Xiong, L Lu, Z Qian, Y Zhu, PP Mkhonto, Y Zheng, L Han, ...
Separation and Purification Technology 279, 119658, 2021
39 2021 