Mahlaga Molepo

Computational study of the structural phases of ZnO

Mahlaga Molepo, Daniel P. Joubert · Physical Review B · 2011 · 46 citations

Materials Science, Inorganic Chemistry, Engineering +14

Defect charge states in Si doped hexagonal boron-nitride monolayer

R.E. Mapasha, Mahlaga Molepo, R. C. Andrew et al. · Journal of Physics Condensed Matter · 2016 · 20 citations

Ab initio studies of isolated hydrogen vacancies in graphane

R.E. Mapasha, Mahlaga Molepo, N. Chetty · Physica E Low-dimensional Systems and Nanostructures · 2015 · 17 citations

Engineering, Hydrogen Transition, Natural Sciences +5

First-principles study of structural stability, electronic properties and lattice thermal conductivity of KAgX (X = S, Se, Te)

Mahmoud A. Mahmoud, Elkana Rugut, Mahlaga Molepo et al. · The European Physical Journal B · 2019 · 16 citations

Materials Science, Solid-state Ionic, Engineering +12

First principles calculations of pentaheptite graphene and boronitrene derivatives

Mahlaga Molepo, R.E. Mapasha, Kingsley Onyebuchi Obodo et al. · Computational Materials Science · 2014 · 15 citations

Engineering, Hexagonal Boron Nitride, Natural Sciences +7