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Krishnakanta Mondal
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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
492013
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
392018
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
292014
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
232014
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
172016
Exfoliation of Ti2C and Ti3C2 Mxenes from Bulk Phases of Titanium Carbide: A Theoretical Prediction
K Mondal, P Ghosh
arXiv:1904.13159, 2019
14*2019
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
132013
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
102021
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
92020
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
92015
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
92015
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
62020
A review on different types of the non steroidal anti-Inflammatory drugs (NSAIDs)
I Hoque, A Chatterjee, S Bhattacharya, R Biswas, S Auddy, K Mondal
Int J Adv Multidiscip Res 3 (9), 41-51, 2016
62016
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
32019
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
22021
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
22018
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, 2022
12022
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, 2021
12021
Adsorption and Activation of CO2 on a Au19Pt Subnanometer Cluster in Aqueous Environment
K Mondal, A Banerjee, A Fortunelli
Computational and Theoretical Chemistry, 113701, 2022
2022
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Articles 1–19