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Dr Habib Ullah

Research Fellow


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I'm a Research Fellow in the Faculty of ESE, working on the Design and Development of Catalysts for Energy applications (Green H2). I employ state-of-the-art Computational Chemistry methods (DFT/MD) along with Experiments in the area of Electrocatalysis. 

As we know, First-Principles DFT/MD simulations play an important role in the design, understanding, development, and optimization of novel advanced materials (Energy Materials). In order to design an efficient Catalyst; so far, I have worked on the surface chemistry of Conjugated Polymers, Transition Metal Oxides, Encapsulated Materials, Nanomaterials, Alloys, Intercalated Materials, Composite Materials, Perovskites, and 2D materials. Through DFT/MD modellings, I am aiming to engineer the atomic and electronic properties of these materials for delivering fast reaction kinetics (OER/ORR/HER/UOR/CO2RR) with high efficiency, selectivity, and stability.

Research Interests
  • Electrocatalysis
  • Catalysis
  • Batteries 
  • Advanced Oxidation Process




  • University of Exeter, Penryn Campus, College Funded Ph.D Studentship. 2014 - 2018
Memberships Research Collaborators 
  • Rashid bin Mohd Yusoff- Advanced Display Research Canter, Kyung Hee University, Seoul, South Korea
  • S. Zh. Karazhanov - Department for Solar Energy, Institute for Energy Technology, 2027 Kjeller, Norway
  • Wei Luo - Engineering Research Centre for Functional Ceramics, Wuhan 430074, PR China
  • Suriati Sufian- Chemical Engineering, Universiti Teknologi PETRONAS, 32610, Bandar Seri, Perak, Malaysia.
  • Zhuqi Chen - Key Laboratory of Material Chemistry for Energy Conversion and Storage, Wuhan, PR China.
  • Mohd A. Mat Teridi - Solar Energy Research Institute - National University of Malaysia, Malaysia
  • Sayyar Ali Shah - School of Environmental & Chemical Engineering Jiangsu UST, Zhenjiang P. R. China
  • Igor Djerdj - Department of Chemistry J. J. Strossmayer University of Osijek Cara Hadrijana, Croatia
  • C. Wang – Wuhan National Laboratory, Huazhong University of Science and Technology, Wuhan PR China
Editorial Activities