Computational study on energy materials

​Dr Tanveer Hussain has completed my PhD from Uppsala University, Sweden in October 2013, which was followed by a short stint as research associate for two months. He won a prestigious Carl Tryggers fellowship in 2014 to work as postdoctoral researcher combined at Uppsala University and KTH Sweden. Later on Dr Hussain was awarded another highly competitive UQ postdoctoral fellowship in 2015 to work on my own research proposal at Australian Institute for Bioengineering and Nanotechnology (AIBN). Currently Dr Hussain is working on computational studies of verious nanostructures for diverse application including energy storage, gas sensing, metal-ion batteries and single atom catalysis.


  • Prof. Rajeev Ahuja
    Dept. of Physics and Astronomy, Uppsala University, Sweden
  • Dr. Wei Luo
    Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH), Sweden
  • Prof. Puspamitra Panigrahi
    Clean Energy and Nano Convergence Centre, Hindustan University, Chennai, India
  • Prof. Keisuke Takahashi
    Laboratory of Advanced Materials, Graduate School of Engineering Hokkaido University, Japan
  • Dr. Thanayut Kaewmaraya
    Institut d’Électronique Fondamentale, UMR 8622, Université Paris-Sud, 91405 Orsay, France

    Key Publications

    1. Defects and Substitution Induced Silicene Sensor to Probe Toxic Gases
    2. Tanveer Hussain*, T. Kaewamaraya, S. Chakraborty and R. Ahuja, J. Phys. Chem. C 120, 25256 (2016) Computational Evaluation of Lithium Functionalized Carbon Nitride (g-C6N8) Monolayer as an Efficient Hydrogen Storage Material Tanveer Hussain*, M. Hankel and D. J. Searles, J. Phys. Chem. C 120, 25180 (2016)
    3. Sensing Characteristics of Phosphorene Monolayers Towards PH3 and AsH3 Gases Upon the Introduction of Vacancy Defects, M. S. Mahabal, M. Deshpande, Tanveer Hussain* and R. Ahuja, J. Phys. Chem. C 120, 20428 (2016) Role of vacancies, light elements and rare-earth metals doping in CeO2
    4. H Shi, Tanveer Hussain, R. Ahuja, T. W. Kang and W. Luo, Scientific Reports 6, 31345 (2016) Reversible Hydrogen Uptake by BN and BC3 Monolayers Functionalized with Small Fe Clusters: A Route to Effective Energy Storage
    5. Tanveer Hussain*, K. Takahashi and D. J. Bernhardt, Physical Chemistry A 120, 2009 (2016)