Prof. Abir De Sarkar
Scientist 'F' & Dean Academics
Institute of Nano Science & Technology
Habitat Centre, Phase X, Sector - 64, Mohali, Punjab-160062, India

Contact info:

Tel: 0172 - 2210075 (Ext. 111)
Email Id :,    


I pursue research in the realm of Computational Nanoscience using density functional theory based approaches. Energy conversion based on 2D Materials: Artificial photosynthesis, photocatalysis (Light harvesting), Nanopiezotronics, Piezoelectricity (mechanical to electrical energy conversion), Thermoelectricity (thermal to electrical energy conversion), carrier mobility, optoelectronic and photophysical properties, band gap and edge engineering in nanomaterials, Nanocatalysis (Activation and conversion of CO2 and hydrocarbons on nanosystems), Gas sensors.


Interfacing boron monophosphide with molybdenum disulphide for an ultrahigh performance in thermoelectrics, 2D excitonic solar cells and nanopiezotronics

Mohanta et al.

ACS Applied Materials & Interfaces

Valley drift and valley current modulation in strained monolayer MoS2


Nityasagar et al.

Phys. Rev. B 100, 165413

Solar Energy Harvesting in Type II van der Waals Heterostructures of Semiconducting Group III Monochalcogenide Monolayers


Ashima et al.

Journal of Physical Chemistry C

Superhigh out-of-plane piezoelectricity, low thermal conductivity and photocatalytic abilities in ultrathin 2D van der Waals heterostructures of boron monophosphide and gallium nitride

Mohanta et al.

Nanoscale, 2019, 11, 21880

ZrS3/MS2 and ZrS3/MXY (M=Mo, W; X, Y=S, Se, Te; X ≠ Y) type-II van der Waals hetero-bilayers: Prospective candidates in 2D excitonic solar cells", Applied Surface Science

Raihan et al.

Applied Surface Science

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