Density functional theory investigation of nonlinear optical properties of T-graphene quantum dots J Deb, D Paul, U Sarkar The Journal of Physical Chemistry A 124 (7), 1312-1320, 2020 | 73 | 2020 |
Pentagraphyne: a new carbon allotrope with superior electronic and optical property J Deb, D Paul, U Sarkar Journal of Materials Chemistry C 8 (45), 16143-16150, 2020 | 57 | 2020 |
Interaction of nitrogen molecule with pristine and doped graphyne nanotube J Deb, B Bhattacharya, D Paul, U Sarkar Physica E: Low-dimensional Systems and Nanostructures 84, 330-339, 2016 | 43 | 2016 |
Twin-graphene as a promising anode material for Na-ion rechargeable batteries H Dua, J Deb, D Paul, U Sarkar ACS Applied Nano Materials 4 (5), 4912-4918, 2021 | 41 | 2021 |
Electronic and optical properties of XN-ynes (X= B, Al, Ga): A first-principle study with many-body effects B Bhattacharya, D Paul, U Sarkar Applied Surface Science 495, 143612, 2019 | 35 | 2019 |
Electronic and optical properties of C24, C12X6Y6, and X12Y12 (X = B, Al and Y = N, P) D Paul, J Deb, B Bhattacharya, U Sarkar Journal of Molecular Modeling 24, 1-13, 2018 | 29 | 2018 |
Detection of nitrobenzene using transition metal doped C24 : A DFT study BC D Paul, A Vaidyanathan, U Sarkar Structural Chemistry, 2021 | 27 | 2021 |
Adsorption of hydrazoic acid on pristine graphyne sheet: a computational study J Deb, D Paul, D Pegu, U Sarkar, DEB Jyotirmoy, P Debolina, P David, ... 物理化学学报 34 (5), 537-542, 2018 | 25 | 2018 |
A Detailed DFT Study on Electronic Structures and Nonlinear Optical Properties of Doped C30 D Paul, J Deb, U Sarkar ChemistrySelect 5 (23), 6987-6999, 2020 | 24 | 2020 |
Characterizing the sensitivity of bonds to the curvature of carbon nanotubes J Deb, D Paul, U Sarkar, PW Ayers Journal of Molecular Modeling 24, 1-11, 2018 | 24 | 2018 |
Density functional theory study of pristine and transition metal doped fullerene D Paul, J Deb, B Bhattacharya, U Sarkar AIP conference proceedings 1832 (1), 2017 | 24 | 2017 |
The Influence of the Substitution of Transition Metals on Pristine C20: A DFT Study D Paul, J Deb, B Bhattacharya, U Sarkar International Journal of Nanoscience 17 (04), 1760026, 2018 | 18 | 2018 |
Optical properties of C28 fullerene cage: a DFT study D Paul, B Bhattacharya, J Deb, U Sarkar AIP Conference Proceedings 1953 (1), 2018 | 18 | 2018 |
Confinement effects of a noble gas dimer inside a fullerene cage: Can it be used as an acceptor in a DSSC? D Paul, H Dua, U Sarkar Frontiers in Chemistry 8, 621, 2020 | 14 | 2020 |
Electronic, nonlinear optical and thermodynamic properties of (CdS) n clusters: A first principle study D Pegu, J Deb, D Paul, U Sarkar Computational Condensed Matter 14, 40-45, 2018 | 13 | 2018 |
Transition metal doped (X= V, Cr) CdS monolayer: A DFT study J Deb, D Paul, U Sarkar AIP Conference Proceedings 1953 (1), 2018 | 11 | 2018 |
Designing of PC31BM‐based acceptors for dye‐sensitized solar cell D Paul, U Sarkar Journal of Physical Organic Chemistry 36 (12), e4419, 2023 | 10 | 2023 |
Penta-BeS2 monolayer: A new 2D material J Deb, H Dua, D Paul, U Sarkar AIP Conference Proceedings 2265 (1), 2020 | 7 | 2020 |
Donor-acceptor decorated graphyne: A promising candidate for nonlinear optical application J Deb, D Paul, U Sarkar AIP Conference Proceedings 2115 (1), 2019 | 7 | 2019 |
Transition metal doped fullerene C20: A promising hydrogen storage device D Paul, JDU Sarkar AIP Conference Proceedings 2265 (1), 2020 | 5 | 2020 |