| DFT benchmark studies on representative species and poisons of methane steam reforming on Ni (111) SS Yadavalli, G Jones, M Stamatakis Physical Chemistry Chemical Physics 23 (29), 15601-15612, 2021 | 5 | 2021 |
| Assessing the Impact of Adlayer Description Fidelity on Theoretical Predictions of Coking on Ni (111) at Steam Reforming Conditions SS Yadavalli, G Jones, RL Benson, M Stamatakis The Journal of Physical Chemistry C 127 (18), 8591-8606, 2023 | 2 | 2023 |
| Computational investigations to understand the coking thermodynamics and intrinsic chemistry of methane steam reforming on Ni SS Yadavalli UCL (University College London), 2023 | | 2023 |
| Speeding up the Detection of Adsorbate Lateral Interactions in Graph-Theoretical Kinetic Monte Carlo Simulations RL Benson, SS Yadavalli, M Stamatakis The Journal of Physical Chemistry A 127 (48), 10307-10319, 2023 | | 2023 |
| Computational studies on poisoning of Ni catalyst in Methane Steam Reforming S Yadavalli, M Stamatakis AIChE, 2020 | | 2020 |
| Theoretical Studies on Poisoning of Ni Catalyst in Methane Steam Reforming SS Yadavalli, M Stamatakis, G Jones 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Michail StamatakisProfessor of Computational Inorganic Chemistry, University of OxfordVerified email at chem.ox.ac.uk
