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Dr Habib Ullah

Research Fellow


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I'm a Research Fellow in Renewable Energy. My Research involves First-Principles Density Functional Theory (DFT), Molecular Dynamic (MD), and Experimental study of Energy Materials. First-Principles DFT/MD simulations play an important role in the design, understanding, development, and optimization of novel advanced materials for various applications including energy generation. I have been using DFT since 2012, as a computational tool for the study of Conjugated Polymers, Metal Oxides, Perovskite, Phase Change Materials, Composite materials, and 2D materials. During my academic career, I have built both experimental and theoretical expertise while working on several research projects. Currently, I am working on the design and fabrication of "Transparent Smart Composite Materials for Glazing" with U-values of less than 0.4 W/m2K. This is an EPSRC four years research project with UCL partners, where I will employ DFT/MD modelings along with experiments, to design a Smart Composite Material. This Smart Composite Material will consist of a Phase Change Material (PCM), Transparent Insulating Material (TIM), Transparent Infrared Absorber (TIA), and Thermochromic Material (TCM).

Research Interests

  • Photocatalysis
    • Photocathode
    • Photoanode
  • Electrocatalysis
    • OER
    • HER
    • ORR
  • Polymer Solar Cells​
  • Smart Window Technology




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