| Structural and electronic properties of lithium intercalated graphite KR Kganyago, PE Ngoepe Physical Review B 68 (20), 205111, 2003 | 209 | 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 | 147 | 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 | 93 | 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 | 92 | 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 | 90 | 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 | 88 | 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 | 74 | 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 | 60 | 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 | 55 | 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 | 55 | 1993 |
| Theoretical investigation of the Pt3Al ground state HR Chauke, B Minisini, R Drautz, D Nguyen-Manh, PE Ngoepe, ... Intermetallics 18 (4), 417-421, 2010 | 54 | 2010 |
| Solid-state transformation in nanocrystalline Ti induced by ball milling MJ Phasha, AS Bolokang, PE Ngoepe Materials Letters 64 (10), 1215-1218, 2010 | 53 | 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 | 47 | 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 | 47 | 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 | 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 | 42 | 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 | 39 | 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 | 39 | 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 | 37 | 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 | 36 | 2006 |
