Mohammad Islam

Dr, PhD

  • Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY

    BA2 7AY Bath

    UK United Kingdom

  • 1 SOUTH 0.16

Accepting Doctoral Students


Research output per year

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Personal profile

Research interests

1. Computaional modelling of surfaces of metals and oxides, Li intercalation compounds, and miscellaneous interfaces having following applications:

A. Energy Sector:

  • Ion Conduction in Ceramic Oxides and Li/Na Intercalated Compounds for Li/Na ion Battery Technology
  • DFT Modelling of Electrochemical Processes

  • Design and Development of Solid State Electrolytes for Fuel Cells

  • Correlation of Compositional Dynamics and Optoelectronic Properties in Organic-Inorganic Hybrid Perovskites for Solar Photo Voltaics

  • Deffects, Ion Diffusion and Mechanical Properties of Bulk and Grain Boundaries of Cr2O3 for their applications in Nuclear Powerplants.

B. Catalysis Industry:

  • TiO2 in Pigment Industry and Photocatalyic Activities
  • Characterization of Mesoporous Oxides
  • Multi-scale Modelling of Metallic Nanoparticles on Perovskite Oxides for Heterogeneous Catalysis

  • Design and Development of Oxide-based Catalyst Materials for the Methanation of CO2

C. Corrosion Processes: 

  • Modelling of Microstructural Control of Materials during Corrosion Process       

2. Sustainable Development

  • Environmental Protection (Environment and Resource System)
  • Economic Sustainability (Economic System and Infrastructure System)
  • Social justice (Individual Development, Social System and Government System)


Summary Data of research outputs:

  • 3 scholarly books, 2 scholarly book chapters, 52 articles in peer reviewed journal, 3 articles in national journals, 2 invited papers in non refereed journals.
  • H-index = 18, i10-index=31, number of citation > 1000.
  • High impact journal papers
  • First author on 27 papers and corresponding author on 22 papers

Teaching interests

Theoretical and Computational Chemistry

Quantum Mechanics

Inorganic Chemistry

Material Science

Solid State Chemistry

Chemistry of Surfaces and Interfaces

Fundamentals of Nanomaterials

Energy (production, storage and conversion) 

Other responsibilities

Supervised/Co-supervised 3 Postdocs/ 4 PhD/ 1 Master/2 Bachelor Students between 2007 - 2018:

-  M. Sc project at University of Pierre and Marie Curie (UPMC), Paris in 2009, Topic: Chemical States of Water on Cr2O3 Surface.

- PhD project at UPMC, Paris, in 2007 – 2010, Topic: Bulk and Defect Properties of Cr2O3.

- Bachelor thesis at University of Bonn, in 2012, Topic: Li Migration Pathways in LiC6.

- Bachelor thesis at the University of Bonn, in 2013, Topic: Stability of 3R-LiTiS2

- PhD project at the University of Bonn, in 2014 – 2017, Topic: Stability and Reactivity of Chalcopyrite Surfaces.

- Post-doctoral project at the University of Bonn, in 2013, Topic: Adsorption of Pt and Co-adsorption of Pt-Au and Pt-Co on Titania Surfaces.   

- Post-doctoral project at the University of Bonn, in 2014, Topic: Bulk and Surface Properties of CIGs for the Application in Solar Energy.

- Post-doctoral project at the University of Bonn, in 2012–2014, Topic: Ion diffusion in Mayenite.

- PhD project at the University of Bonn in collaboration with University of Hannover, in 2014 – 2017, Topic: Li Diffusion in Solid State Materials.

- PhD project at UPMC, in 2014 – 2017, Topic: Influence of F states in the electronic properties of titania surfaces.

Willing to supervise doctoral students

Willing to supervise PhD in Theoretical and Computational Chemistry.

Education/Academic qualification

Theoretical Chemistry, Doctor of Science, Leibniz Universität Hannover

4 Apr 200211 Jul 2005

Award Date: 11 Jul 2005

Chemistry, Master of Chemistry, University of Dhaka

1 Aug 19991 Jul 2001

Award Date: 1 Jul 2001

Chemistry, Bachelor of Science, University of Dhaka

1 Jul 199530 Jun 1999

Award Date: 1 Jul 1999


  • QD Chemistry
  • computational chemistry
  • Theoretical Chemistry
  • quantum chemistry
  • Solid State Chemistry
  • Nanomaterials
  • Material Science
  • Inorganic Chemistry
  • Energy
  • Micro structural Control
  • Corrosion Science
  • Electronic Properties


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