| Structural and electronic properties of lithium intercalated graphite KR Kganyago, PE Ngoepe Physical Review B 68 (20), 205111, 2003 | 220 | 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 | 163 | 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 | 99 | 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 | 93 | 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 | 92 | 2000 |
| 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 | 89 | 2010 |
| 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 | 65 | 2013 |
| 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 | 63 | 2013 |
| Solid-state transformation in nanocrystalline Ti induced by ball milling MJ Phasha, AS Bolokang, PE Ngoepe Materials Letters 64 (10), 1215-1218, 2010 | 59 | 2010 |
| Theoretical investigation of the Pt3Al ground state HR Chauke, B Minisini, R Drautz, D Nguyen-Manh, PE Ngoepe, ... Intermetallics 18 (4), 417-421, 2010 | 59 | 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 | 57 | 1993 |
| 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 | 55 | 2022 |
| 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 | 52 | 2002 |
| 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 | 47 | 1993 |
| Atomistic simulation of the surface structure of electrolytic manganese dioxide RR Maphanga, SC Parker, PE Ngoepe Surface science 603 (21), 3184-3190, 2009 | 46 | 2009 |
| 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 | 43 | 2021 |
| Ab initio Studies of O2 Adsorption on (110) Nickel-Rich Pentlandite (Fe4Ni5S8) Mineral Surface PP Mkhonto, HR Chauke, PE Ngoepe Minerals 5 (4), 665-678, 2015 | 41 | 2015 |
| 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 | 40 | 2010 |
