Ab initio studies of effect of copper substitution on the electronic and magnetic properties of Ni 2 MnGa and Mn 2 NiGa A Chakrabarti, M Siewert, T Roy, K Mondal, A Banerjee, ME Gruner, ...
Physical Review B 88 (17), 174116, 2013
68 2013 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
67 2018 Structure and mechanical properties of Al–Ni–Ti amorphous powder consolidated by pressure-less, pressure-assisted and spark plasma sintering S Mula, K Mondal, S Ghosh, SK Pabi
Materials Science and Engineering: A 527 (16-17), 3757-3763, 2010
63 2010 Structural and Chemical Properties of Subnanometer-Sized Bimetallic Au19 Pt Cluster K Mondal, A Banerjee, TK Ghanty
The Journal of Physical Chemistry C 118 (22), 11935-11945, 2014
34 2014 Exfoliation of Ti2C and Ti3C2 Mxenes from Bulk Phases of Titanium Carbide: A Theoretical Prediction K Mondal, P Ghosh
arXiv:1904.13159, 2019
32 * 2019 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
28 2014 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
27 2022 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 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
25 2021 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
25 2021 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 Mechanism of Iron Integration into LiMn1.5 Ni0.5 O4 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
14 2022 CO Capture, Activation and Dissociation on Ti C Surface and Ti C MXene: Role of Surface Structure Aswathi Mohan T, Nishamol Kuriakose, Krishnakanta Mondal, Prasenjit Ghosh
Physical Chemistry Chemical Physics,, 2020
14 2020 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
12 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 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
9 2021 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 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
7 2019 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
5 2023 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
4 2018