Research Interests

The research activities of my group are currently focused on the concerns and problems related to ENERGY and ENVIRONMENT, which constitute two of the most compelling challenges faced by mankind today. The concerns related to Energy are not only limited to the rising costs of energy products and depletion of fossil fuel based energy reserves, but more importantly, the havoc and devastation it causes to the Environment. Thus, the concerns and issues of Energy and Environment are intertwined, as the use of hydrocarbon based energy resources cause global warming, which has manifested in Climate Change, leading to whole range of risks to planet earth, such as melting and squeezing of glaciers and extreme weather conditions.

We use a mix of Computational Chemistry and Nanotechnology to address some the crucial research aspects of energy and environment. We are involved in performing theoretical investigations over a broad spectrum of systems, ranging from molecules to materials, using a variety of quantum mechanical methods. The main focus of our research is on energy storage and conversion systems,  dye-sensitized Solar cells (DSSCs) H2 storage, structure-activity relationships of biological importance and microscopic structure-property relationship for applications based on transport, optical, magnetic and electrical behavior of condensed systems. We also focus on developing new and novel nano-materials with special functionalities, which are useful in sensing, catalysis, adsorption and ion-exchange and have specific applications in abatement of water Contaminants.

Faculty Details

  • Citations 1445
  • HIndex 16
  • i10 Index 27
  • Mobile 7006429021
  • Email
  • Administrative position Held Coordinator SAP, Coordinator MHRD Initiative Vlabs Programme,Coordinator Science Olympiad Programme, Organizer: Australian National Chemistry Quiz, Teacher Incharge Departmental store(Chemical/glassware)/ libraryMember Deparmental purchase Committee
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Research Papers Published

  • "Electron Transport and Nonlinear Optical Properties of Substituted Aryldimesityl boranes: A DFT Study" PLoS ONE, 9(12): 1 -24 {ISSN: 1932-6203} Impact Factor= 4.240
  • "Hydrogen storage: Materials, methods and perspectives" Renewable and Sustainable Energy Reviews, Elsevier, 50(0): 457 -469 {ISSN: 1386-1425}
  • "Adsorption studies of Malachite green on 5-sulphosalicylic acid doped tetraethoxysilane (SATEOS) composite material" RSC Adv., Royal Chemical Society (UK), 5(0): 92788 -92798 {ISSN: 1386-1425}
  • "Exploring the ion exchange and separation capabilities of the thermally stable acrylamide zirconium(IV) sulphosalicylate (AaZrSs) composite material" RSC Adv., Royal Chemical Society, 6(1): 35914 -35927 {ISSN: 1386-1425} Impact Factor= 3.840
  • "Soft Template Assisted Synthesis of Cadmium Selective Zirconium Resorcinol Phosphate Nanocomposite Material" Industrial & Engineering Chemistry Research, American Chemical Society, 55(17): 4820 -4829 {ISSN: 1520-5045} Impact Factor= 2.578
  • "Computational studies on optoelectronic and charge transfer properties of some perylene based donor – p – acceptor systems for dye sensitized solar cell applications" International Journal of Quantum Chemistry.(Wiley Publishers), DOI: 10.1(DOI: 10.1): DOI No. DOI: 10.1002/qua.25332 {ISSN: 1097-461X} Impact Factor= 1.432
  • "Removal of heavy metal ions from aqueous system by ion-exchange and biosorption methods" Environmental Chemistry Letters, 16(1): DOI No. DOI: 10.1007/s10311-018-00828- {ISSN: 1610-3653} Impact Factor= 3.125
  • "Microwave-assisted synthesis of glutathionecoated hollow zinc oxide for the removal of heavy metal ions from aqueous systems" RSC Adv, 9(1): 15976 -15986 Impact Factor= 3.841
  • "Enhancing the Photoresponse by CdSe-Dye-TiO2-Based Multijunction Systems for Efficient Dye Sensitized Solar Cells: A Theoretical Outlook" Journal of computational Chemistry, 3(2): DOI No. DOI: 10.1002/jcc.26019 Impact Factor= 3.224
  • "Detection and removal of heavy metal ions: a review" Environmental Chemistry Letters, 17(1): DOI No. Impact Factor= 3.125
  • "Enhanced and Selective Adsorption of Zn(II), Pb(II), Cd(II), and Hg(II Ions by a Dumbbell- and Flower-Shaped Potato Starch PhosphatePolymer: A Combined Experimental and DFT Calculation Study" ACS Omega, 5(0): 4853 -4867 {ISSN: 2470-1343} Impact Factor= 2.87
  • "Revisiting the old and Golden Inorganic Material, Zirconium Phosphate: Synthesis, Intercalation, Surface Functionalization and Metal Ion Uptake" Industrial & Engineering Chemistry Research, ACS, 59(52): 22353 -22397 {ISSN: 2591-7331} Impact Factor= 3.573
  • "Citrate Coated Magnetite: A complete Magneto dielectric, Electrochemical and DFT study for detection and removal of heavy metal ion" Surfaces and Interfaces, Elsevier, 23(0): 101004 -101020 {ISSN: 2468-0230} Impact Factor= 3.724
  • "?-Radiation induced L-glutamic acid grafted highly porous, pH-responsive chitosan beads: A smart and biocompatible vehicle for controlled anti-cancer drug delivery" International Journal of Biological Macromolecule, 0(0): DOI No. Impact Factor= 5.162

Books Published

  • "Applications of Ion Exchange Materials in the Environment/ Microwave-Assisted Hydrothermal Synthesis of Agglomerated Spherical Zirconium Phosphate for Removal of Cs+ and Sr2+ Ionsfrom Aqueous System". Springer. {ISBN: 978-3-030-10430-6} pp 95

Research Projects Details:

Title of the ProjectFunding AgencyDatedAmount (in Rs.)
Investigations into structural, opto-electronic and excited state properties of some dye-sensitized semiconductor nano-composites for solar cell applications using Density Functional TheoryUGC31-03-20171,213,300.00
Study of pure and ion embedded iron oxide nanostructure for sensing and removal of hazardous water from waterDST28-11-20163,468,600.00

Research Scholars:

Ms. Saba NiazM.Phil Awarded Whole Time
Arshid BashirPh.D Awarded Whole Time
Sozia AhadPh.D Awarded Whole Time
Lateef AhmedPh.D Awarded Whole Time
Safiya NisarPh.D Awarded Whole Time
Nahida SofiPh.D Awarded Whole Time
Mr Nasarul IslamPh.D Awarded Whole Time


DepartmentSubjectCourse TaughtSemester
ChemistryM.Sc. Chemistry: Infrared, Raman and Electronic Spectroscopy1
ChemistryM.Sc. ChemistryNMR and ESR Spectroscopy2
ChemistryM.Sc. ChemistryNQR & Mossbauer Spectroscopy3
ChemistryM.Sc. ChemistryPhoto-Inorganic Chemistry4
ChemistryM.Sc. ChemistryAdvanced Laboratory Course in Inorganic Chemistry4
ChemistryM.Sc. ChemistrySeminar in Inorganic Chemistry4