Dr Hassan A. Tahini

Materials modelling | Energy | Catalysis | Machine learning


2D materials

Batteries and supercapacitors


Functional materials

Machine learning

Latest News


Check out our recent paper on boosting oxygen evolution in Ruddlesden‐Popper oxides. Here we show how oxygen sites can be tuned, such that they become directly active in participating in the oxygen evolution reaction. The paper is published in EcoMat.


My design was featured on the front cover of Advanced Materials for our article “Boosting Oxygen Evolution Reaction by Creating Both Metal Ion and Lattice‐Oxygen Active Sites in a Complex Oxide“. The artwork could be viewed here.


“Facile CO Oxidation on Oxygen‐functionalized MXenes via the Mars‐van Krevelen Mechanism”, is the title of our recent paper just published in ChemCatChem. The study focuses on M3X2O2 MXenes, and the factors behind some of the high predicted activities for CO oxidation. More details are here.


Our recent paper on oxygen evolution reaction in a complex hexagonal oxide (Ba4Sr4(Co0.8Fe0.2)O15) was published in Advanced Materials. Using theoretical and experimental approaches, we show that the oxide can evolve oxygen through its unique electronic structure and coordination, via lattice oxygen active sites, as well as Co sites. More can be found here.


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Full list of publications on Google Scholar.

For more of my design artworks, check my website:


I am a computational materials scientist, currently working as a research fellow at the Australian National University. Working at the nexus of materials’ chemistry, physics and engineering, my research interests align with several thrusts covering materials for energy applications, catalysis and fundamental physical properties of materials.

I completed my PhD at the Department of Materials Engineering at Imperial College which was awarded in 2014. I have undertaken postdoctoral research in the group of Prof. Udo Schwingenschlögl at KAUST in 2014 and Prof. Sean Smith at UNSW Sydney (2015-2017) and subsequently at the Australian National University. You can find more here.


Please get in touch if you are interested in pursuing a PhD with us. Fully funded PhDs are available through the ANU scholarship programme for eligible candidates.

  • h.tahini [at] gmail.com | hassan.tahini [at] anu.edu.au
  • @hatahini
  • @htahini
  • +61 (02) 6125 9307
  • C4.49, Cockroft Bldg, Research School of Physics, ANU, Canberra