Dr Kingsley Obodo

Postdoctoral Research Fellow

Dr Kingsley O Obodo obtained his B.Tech in Physics and electronics technology at the Nnamdi Azikiwe University, Awka in 2007. After graduation, Obodo joined African University of Science and Technology, Abuja, Nigeria (AUST) in 2008. During his time at AUST, he was a visiting researcher at the Indian Institute of Science, Bangalore for 9 months, where he worked on “Variation of constraint factor with respect to temperature using indentation techniques”. In 2011, he started his PhD work at the University of Pretoria (UP) in the department of Physics on “Quantum mechanical studies of the early actinide compounds”. Obodo received his PhD in 2014 and continued for a 5-months Post-doctoral fellowship at UP to finalized research publications. He subsequently worked at Johnson Matthey Research South Africa as a research scientist on different projects related to emission control and new business units. From there, Obodo worked at the University of South Africa and currently at the HySA infrastructure North-West University. He would be applying his skill set and knowledge towards the computational modelling of catalytic materials and other ongoing projects at HySA Infrastructure.

Project description:

DFT calculations for catalytic materials

Supervisor: Dr. Dmitri Bessarabov


B. Tech (Physics and Electronics), Nnamdi Azikiwe University, Awka, Nigeria, 2007

M.Sc (Materials Science), African University of Science and Technology, Abuja, Nigeria, 2009

PhD (Physics), University or Pretoria, Pretoria, South Africa, 2014

Recent Publications

Functional Calculations for Light Molecules using a Cusp Factor to mitigate the Coulomb Potential” The European Physical Journal accepted.

K. O. Obodo, C. N. M. Ouma, G. Gebreyesus, J. T. Obodo and M. Braun: Electronic and optical properties of lanthanide atoms doped ReS2 mono-layer, Materials Research Express vol 6, p. 106307 (2019).

L. Beldi, H. Bendaoud, K. O. Obodo, B. Abbar, and B. Bouhafs: Density functional theory studies of the SrC and SrN compounds, Materials Chemistry and Physics vol 237, p. 121875 (2019).

I. Benabdelkader, H. Bendaoud, K. O. Obodo, L. Beldi and B. Bouhafs: An ab initio study on the transition path of carbon dioxide at high pressure: Evidence for a new intermediate P4‾m2 phase, Computational Condensed Matter vol 21, e00429, p. 1-8, (2019).

O. Sebaa, Y. Zaoui, K. O. Obodo, L. Beldi, B. Bouhafs: First principles studies of ferrimagnetic double perovskite Ca2FeMoO6 compound, Journal of Superconductivity and Novel Magnetism p. 1-8, (2019) DOI:

K. O. Obodo, C. N. M. Ouma, J. T. Obodo, M. Braun and Dmitri Bessarabov: First principles study of single and multisite transition metal dopant ions in MoS2monolayer: Computational Condensed Matter vol 21, e00419 (2019).

Cecil Naphtaly Moro Ouma, Kingsley Onyebuchi Obodo, Moritz Braun, George Odhiambo Amolo and Dmitri Bessarabov: Insights on hydrogen evolution reaction in transition metal doped monolayer TcS2 from density functional theory calculations: Applied Surface Science vol 470, p. 107-113 (2019).

H. Bendaoud, K. O. Obodo, B. Bouhafs: Predicted dynamically stable new phase for CrO2 compound: DFT+ U calculations, Computational Condensed Matter, vol 21 p. e00400 (2019).

H. Moulkhaloua, Y. Zaoui, K. O. Obodo, A. Belkadi, L. Beldi, B. Bouhafs: Half-Metallic and Half-Semiconductor Gaps in Cr-Based Chalcogenides: DFT+U Calculations, Journal of Superconductivity and Novel Magnetism, vol 32 (3) p. 635-649, (2019).

H. Sadouki, A. Belkadi, Y. Zaoui, S. Amari, K. O. Obodo, L. Beldi, and B. Bouhafs: Ab-initio prediction of intrinsic half-metallicity in binary alkali-metal chalcogenides: KX (X = S, Se and Te): SPIN, vol. 8 (04), 1850020, (2019).