INST Faculty Directory

Dr. Abir De Sarkar

Associate Professor (Scientist E)

Educational background
  • 2000-2004: Ph.D. in Physics (Saha Institute of Nuclear Physics (SINP), Kolkata, India)
  • GATE-2000  (97.84 percentile, All India Rank - 34), NET-CSIR Qualified
  • 1999-2000: Post M.Sc. in Physics (Course work prior to Ph.D.), SINP, Kolkata, India
  • 1997-1999: M.Sc. in Physics (Calcutta University, India) (First Class First: Rank 1

(Recipient of President of India, Medal for the year 2000 for having topped all the postgraduate disciplines in the Calcutta University, Kolkata, India.)

  • 1994-1997: B.Sc. (Hons) in Physics (First class), St. Xavier’s College, Kolkata, Calcutta University, India

(Awarded National Scholarship based on the results)

  • 1992-1994: Completed Higher Secondary (10+2), (Rank 75, Awarded National Scholarship)
Positions held
  • 2000-2004: Completed Ph.D. in Physics in April, 2004 from the Saha Institute of Nuclear Physics (DAE Institute), Kolkata with DAE Fellowship
  • May, 2004 - April, 2005: Max Planck Postdoctoral Fellow at the Fritz Haber Institute of the Max-Planck Society, Berlin, Germany
  • May, 2005 - May, 2010: served as a Research Scientist & Engineer on a A*STAR Visiting Investigator Program (VIP) between CEMES-CNRS, Toulouse, France and  A*STAR, Singapore at the Institute of Materials Research and Engineering (IMRE-A*STAR), Singapore  
  • June, 2010 - June,2011: Senior Research Associate at the Department of Materials Science and Engineering, City University of Hong Kong 
  • August, 2011 - April, 2013: Wenner-Gren Researcher/Forskare at KTH (Royal Institute of Technology), Stockholm, Sweden & Uppsala University, Uppsala, Sweden
  • April, 2013 - March, 2014: Assistant Professor, Department of Physics, Central University of Rajasthan, Tehsil: Kishangarh, Dist. Ajmer, India
  • March, 2014 onwards: Associate Professor (Scientist E) at the Institute of Nanoscience and Technology (INST), (An autonomous Institute of the Department of Science and Technology, Govt. of India), Habitat Centre,  Phase-X, Sector-64, Mohali-160 062, Punjab, India
Research Interests

Computational Nanoscience: Nanomaterials for energy, Gas sensors, Band gap engineering in nanomaterials 

Methods: First principles (ab initio) based approaches, Ab initio transport calculations, Quantum Chemistry, Monte Carlo simulation.

Selected Publications

Click here for a complete Publication List.

  1. Dimple, Nityasagar Jena, Ashima Rawat, Abir De Sarkar*, "Strain and pH facilitated artificial photosynthesis in monolayer MoS2 nanosheet", Journal of Materials Chemistry A, 5 (2017) 22265-22276
  2. Harpreet Singh, Vijay K. Tomer, Nityasagar Jena, Indu Bala, Nidhi Sharma, Devadutta Nepak, Abir De Sarkar*,Kamalakannan Kailasam*, Santanu Pal*, "Truxene based Porous, Crystalline Covalent Organic Frameworks and it’s Applications in Humidity Sensing", Journal of Materials Chemistry A, 5 (2017) 21820-21827
  3. Nityasagar Jena, Dimple, Shounak Dhananjay Behere, Abir De Sarkar*, "Strain Induced Optimization of Nanoelectromechanical Energy Harvesting and Nanopiezotronic Response in MoS2 Monolayer Nanosheet", Journal of Physical Chemistry C, 121 (2017) 9181–9190
  4. Dimple, Nityasagar Jena, Abir De Sarkar*, "Compressive strain induced enhancement in thermoelectric-power-factor in monolayer MoS2 nanosheet", IOP Science: Journal of Physics: Condensed Matter, 29 (2017) 225501 (7pp)
  5. Renu Rani, Dimple, Nityasagar Jena, Anirban Kundu, Abir De Sarkar*, Kiran Shankar Hazra*, “Controlled formation of Nanostructures on MoS2 Layers by Focused Laser Irradiation”, Applied Physics Letters 110 (2017) 083101
  6. Seema Gautam, Abir De Sarkar*, "A systematic investigation on acetylene activation and hydracyanation of the activated acetylene on Au_n (n=3-10) clusters via density functional theory", Phys. Chem. Chem. Phys., 18 (2016) 13830-13843
  7. K.-P. Dou, X.-X. Fu, Abir De Sarkar, R.-Q. Zhang, "Dual response of graphene based ultrasmall molecular junction to defect engineering, Nanoresearch", 9 (2016) 1480–1488; K.P. Dou, X.-X. Fu, Abir De Sarkar, R.Q. Zhang, "Tailoring the transmission lineshape spectrum of zigzag graphene nanoribbon based heterojunctions via controlling their width and edge protrusions", Nanoscale, 7 (2015) 20003-20008.
  8. J. Nisar*, Z. Topalian,  A. De Sarkar*, L. Osterlund, R. Ahuja, "TiO2 based gas sensor: a possible application to SO2", ACS Appl. Mater. Interfaces 5, 8516–8522 (2013) 
  9. T. Hussain*, A. De Sarkar*, R. Ahuja, "Functionalization of hydrogenated graphene by polylithiated species for efficient hydrogen storage", International Journal of Hydrogen Energy 39, 2560-2566, 2014
  10. Y. Li, A. De Sarkar*, B. Pathak, R. Ahuja, "Strain-induced stabilization of Al functionalization in graphene oxide nanosheet for enhanced NH3 storage", Applied Physics Letters 102, 243905 (2013) (5 pages). It has been recognized as a Key Scientific Article and featured in Advances in Engineering, Canada.
  11. Z. Qian*, A. De Sarkar*, T. A. Maark, X. Jiang, M. Deshpande, M. Bououdina, R. Ahuja, “Pure and Li-doped NiTiH: potential anode materials for Li-ion rechargeable batteries”, Applied Physics Letters 103, 033902 (2013)
  12. Tanveer Hussain*, Abir De Sarkar*, Rajeev Ahuja, “Strain induced Li functionalized graphane as a high capacity hydrogen storage material”, Applied Physics Letters 101, 103907 (5 pages), 2012 (Impact factor: 3.817)
  13. K. P. Dou, Abir De Sarkar, C. L. Wang, R. Q. Zhang, “Intramolecular Torsion Based Molecular Switch Functionality Enhanced in π-Conjugated Oligomolecules by a π-Conjugated Pendant Group”, Journal of Physical Chemistry C, 115, 13911- 13918, 2011; Chao Zhang, Abir De Sarkar, Rui-Qin Zhang, “Strain induced band dispersion engineering in silicon nanosheet”, Journal of Physical Chemistry C 115, 23682, 2011
  14. W.-H. Soe, C. Manzano, A. De Sarkar, N. Chandrasekhar and C. Joachim, "Direct Observation of Molecular Orbitals of Pentacene Physisorbed on Au(111) by Scanning Tunneling Microscope", Physical Review Letters, 102, 176102-176104, 2009.
  15. W.-H. Soe, C. Manzano, A. De Sarkar,  F. Ample,  N. Chandrasekhar, N. Renaud, P. de Mendoza, A. M. Echavarren, M. Hliwa and C. Joachim, “A NOR logic gate using a single molecule and two surface gold atoms to encode the logical input”, Physical Review B, 83155443-1 to 155443-8 (2011).
  16. Abir De Sarkar, Francisco Ample, Christian Joachim, "The electronic transparency of a single CO molecule at contact", Chemical Physics Letters, 484, 237 – 241, 2010.
  17. W.-H. Soe, C. Manzano,  N. Renaud, P. de Mendoza, A. De Sarkar, F. Ample, M. Hliwa, A. M. Echavarren, N. Chandrasekhar and C. Joachim, “Manipulating Molecular Quantum States with Classical Metal Atom Inputs: Demonstration of a Single Molecule NOR Logic Gate”, ACS NANO, 5, 1436-1440, 2011. 
  18. Abir De Sarkar and Badal C. Khanra, "CO oxidation and NO reduction over supported Pt-Rh and Pd-Rh nanocatalysts : A comparative study", Journal of Molecular Catalysis A, 229, 25 – 29, 2005.
  19. Adam Kiejna, Georg Kresse, Jutta Rogal, Abir De Sarkar, Karsten Reuter, and Matthias Scheffler, "Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces," Physical Review B, 73, 035404-1 to 035404-8, 2006.
  20. Abir De Sarkar, Badal C. Khanra, "Microkinetic model studies of impurity effects on CO+O2, CO+NO and CO+NO+O2 reactions on supported Pt-Rhnanocatalysts", Chemical Physics Letters, 384, 339 – 343, 2004.
  21. Abir De Sarkar, Badal C. Khanra, "Influence of sulphur on the shell composition of Pt-Rh nanocatalysts : a theoretical model", Chemical Physics Letters, 353, 426 – 430, 2002.
  22. Abir De Sarkar, Badal C. Khanra, "Effect of temperature and adsorbates on the composition profile of Pt-Rh nanocatalysts: a comparative study ", Physica B, 315, 82 – 87, 2002.

Books/Book Chapters

 (1) Book Chapters

 (i) (Chapter 1), ISBN: 978-953-307-152-7

R.Q. Zhang and Abir De Sarkar (2011). Theoretical Studies on Formation, Property Tuning and Adsorption of Graphene Segments, Physics and Applications of Graphene - Theory, Sergey Mikhailov (Ed.), InTech 

Available at:  

 (ii) (Chapter 3), Print ISBN 978-94-007-4947-4, Online ISBN 978-94-007-4948-1

R.-Q. Zhang and Abir De Sarkar (2012), Modeling Silicon Nanostructure Surface Functionalization for Biological Detections, in: J. Zeng, R.-Q. Zhang, H.R. Treutlein (Eds.) Quantum Simulations of Materials and Biological Systems, Springer Netherlands, 2012, pp. 33-51.


Office Address:

Institute of Nano Science & Technology
Habitat Centre, Phase X, Sector - 64, Mohali, Punjab-160062, India

Contact info:

Tel: 0172 - 2210075 (Ext. 111)
Email Id : abir(at)inst(dot)ac(dot)in,

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