| Ab initio study of CO2 hydrogenation mechanisms on inverse ZnO/Cu catalysts T Reichenbach, K Mondal, M Jäger, T Vent-Schmidt, D Himmel, V Dybbert, ... Journal of catalysis 360, 168-174, 2018 | 73 | 2018 |
| Ab initio studies of effect of copper substitution on the electronic and magnetic properties of NiMnGa and MnNiGa A Chakrabarti, M Siewert, T Roy, K Mondal, A Banerjee, ME Gruner, ... Physical Review B—Condensed Matter and Materials Physics 88 (17), 174116, 2013 | 70 | 2013 |
| Structural and Chemical Properties of Subnanometer-Sized Bimetallic Au19Pt Cluster K Mondal, A Banerjee, TK Ghanty The Journal of Physical Chemistry C 118 (22), 11935-11945, 2014 | 36 | 2014 |
| Topological insulators: an in‐depth review of their use in modelocked fiber lasers S Mondal, R Ganguly, K Mondal Annalen der Physik 533 (6), 2000564, 2021 | 33 | 2021 |
| Exfoliation of Ti2C and Ti3C2 Mxenes from Bulk Phases of Titanium Carbide: A Theoretical Prediction K Mondal, P Ghosh arXiv:1904.13159, 2019 | 33* | 2019 |
| Dumbbell-shaped ternary transition-metal (Cu, Ni, Co) phosphate bundles: a promising catalyst for the oxygen evolution reaction H Singh, R Biswas, I Ahmed, P Thakur, A Kundu, AR Panigrahi, ... ACS Applied Materials & Interfaces 14 (5), 6570-6581, 2022 | 32 | 2022 |
| Adsorption and Activation of CO2 on Small-Sized Cu–Zr Bimetallic Clusters Megha, K Mondal, TK Ghanty, A Banerjee The Journal of Physical Chemistry A 125 (12), 2558-2572, 2021 | 30 | 2021 |
| Significant modulation of CO adsorption on bimetallic Au< sub> 19</sub> Li cluster K Mondal, D Manna, TK Ghanty, A Banerjee Chemical Physics 428, 75–81, 2014 | 29 | 2014 |
| Effect of hydrogen atom doping on the structure and electronic properties of 20-atom gold cluster K Mondal, S Agrawal, D Manna, A Banerjee, TK Ghanty The Journal of Physical Chemistry C 120 (33), 18588-18594, 2016 | 27 | 2016 |
| CO Capture, Activation and Dissociation on TiC Surface and TiC MXene: Role of Surface Structure Aswathi Mohan T, Nishamol Kuriakose, Krishnakanta Mondal, Prasenjit Ghosh Physical Chemistry Chemical Physics,, 2020 | 17 | 2020 |
| Mechanism of Iron Integration into LiMn1.5Ni0.5O4 for the Electrocatalytic Oxygen Evolution Reaction I Ahmed, R Biswas, SG Dastider, H Singh, S Mete, RA Patil, M Saha, ... Energy & Fuels 36 (19), 12160-12169, 2022 | 16 | 2022 |
| Density functional investigation on the structures and properties of Li atom doped Au20 cluster K Mondal, TK Ghanty, A Banerjee, A Chakrabarti, C Kamal Molecular Physics 111 (6), 725-734, 2013 | 16 | 2013 |
| Ab initio modeling of the ZnO-Cu (111) interface K Mondal, Megha, A Banerjee, A Fortunelli, M Walter, M Moseler The Journal of Physical Chemistry C 126 (1), 764-771, 2021 | 13 | 2021 |
| Adsorption and activation of CO 2 on Zr n (n= 2–7) clusters Megha, K Mondal, A Banerjee, TK Ghanty Physical Chemistry Chemical Physics 22 (29), 16877-16886, 2020 | 13 | 2020 |
| Does enhanced oxygen activation always facilitate CO oxidation on gold clusters? Krishnakanta, Mondal, Arup, Banerjee, Alessandro, Fortunelli, Tapan, K., Ghanty Journal of Computational Chemistry 36, 2177–2187, 2015 | 10 | 2015 |
| Silicene: A Promising Surface to Achieve Morphology Transformation in Gold Clusters K Mondal, K Chinnathambi, A Banerjee, A Chakrabarti, TK Ghanty The Journal of Physical Chemistry C 119 (6), 3192–3198, 2015 | 9 | 2015 |
| Unraveling the role of orbital interaction in the electrochemical HER of the trimetallic AgAuCu nanobowl catalyst R Biswas, SG Dastider, I Ahmed, S Barua, K Mondal, KK Haldar The Journal of Physical Chemistry Letters 14 (13), 3146-3151, 2023 | 8 | 2023 |
| Remarkable structural effect on the gold–hydrogen analogy in hydrogen-doped gold cluster Megha, C Kamal, K Mondal, TK Ghanty, A Banerjee The Journal of Physical Chemistry A 123 (10), 1973-1982, 2019 | 8 | 2019 |
| Dithiophosphonate Anchored Heterometallic (Ag (I)/Fe (II)) Molecular Catalysts for Electrochemical Hydrogen Evolution Reaction DK Jangid, SG Dastider, R Biswas, S Khirid, S Meena, P Kumar, ... Inorganic Chemistry 61 (34), 13342-13354, 2022 | 7 | 2022 |
| Microscopic understanding of electrocatalytic reduction of CO2 on Pd-polyaniline composite: an ab initio study A Sahu, K Mondal, P Ghosh Journal of Molecular Modeling 24, 248, 2018 | 5 | 2018 |
Aparna ChakrabartiRaja Ramanna Centre for Advanced Technology and Homi Bhabha National InstituteVerified email at rrcat.gov.in