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
78 2018 Ab initio studies of effect of copper substitution on the electronic and magnetic properties of NiA Chakrabarti, M Siewert, T Roy, K Mondal, A Banerjee, ME Gruner, ...
Physical Review B—Condensed Matter and Materials Physics 88 (17), 174116, 2013
72 2013 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
43 2022 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
38 2021 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
37 2014 Exfoliation of Ti2C and Ti3C2 Mxenes from Bulk Phases of Titanium Carbide: A Theoretical Prediction K Mondal, P Ghosh
arXiv:1904.13159, 2019
36 * 2019 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
31 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
30 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
28 2016 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
24 2022 Co3 O4 /WO3 /C Nanorods with Porous Structures as High-Performance Electrocatalysts for Water Splitting I Ahmed, SG Dastider, R Biswas, A Roy, K Mondal, KK Haldar
ACS Applied Nano Materials 7 (4), 4035-4050, 2024
23 2024 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
18 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
17 2020 CO Aswathi Mohan T, Nishamol Kuriakose, Krishnakanta Mondal, Prasenjit Ghosh
Physical Chemistry Chemical Physics,, 2020
17 2020 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 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
14 2022 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
12 2023 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 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
9 2019 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 
Aparna ChakrabartiRaja Ramanna Centre for Advanced Technology and Homi Bhabha National InstituteEmail confirmado em rrcat.gov.in