Ngoepe, Phuti Esrom

Top Publications

Top Publications Authored or Co-Authored by "Ngoepe, Phuti Esrom"

• Structural and electronic properties of lithium intercalated graphite LiC6

  Physical Review B - Condensed Matter and Materials Physics, Volume 68, No. 20, Year 2003, Citations 125
• Structure and properties of ilmenite from first principles

  Physical Review B - Condensed Matter and Materials Physics, Volume 71, No. 7, Article 075202, Year 2005, Citations 106
• Modeling the surface structure and reactivity of pyrite: Introducing a potential model for FeS2

  Journal of Physical Chemistry B, Volume 104, No. 33, Year 2000, Citations 75
• Predicting the electrochemical properties of MnO2 nanomaterials used in rechargeable Li batteries: Simulating nanostructure at the atomistic level

  Journal of the American Chemical Society, Volume 131, No. 17, Year 2009, Citations 70
• The displacive phase transition of vanadium dioxide and the effect of doping with tungsten

  Chemistry of Materials, Volume 20, No. 5, Year 2008, Citations 68