Challenges of modeling nanostructured materials for photocatalytic water splitting B Samanta, Á Morales-García, F Illas, N Goga, JA Anta, S Calero, ...
Chemical Society reviews, 2022
77 2022 A comparative study of Bi, Sb, and BiSb for electrochemical nitrogen reduction leading to a new catalyst design strategy YJ Jang, TA Evans, B Samanta, K Zeng, MC Toroker, KS Choi
Journal of Materials Chemistry A 9 (36), 20453-20465, 2021
16 2021 Specificity of amino acid–aluminum cluster interaction and subsequent oxygen activation by the above complex B Samanta, T Sengupta, S Pal
The Journal of Physical Chemistry C 122 (49), 28310-28323, 2018
16 2018 Cooperative Fe sites on transition metal (oxy) hydroxides drive high oxygen evolution activity in base Y Ou, LP Twight, B Samanta, L Liu, S Biswas, JL Fehrs, NA Sagui, ...
Nature Communications 14 (1), 7688, 2023
14 2023 Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles JA Seijas-Bellido, B Samanta, K Valadez-Villalobos, JJ Gallardo, J Navas, ...
Journal of Chemical Information and Modeling 62 (24), 6423-6435, 2022
6 2022 Energetics and structural behavior of asphaltene molecules near mica surface: Molecular simulation study B Samanta, MB Singh, A Malani
Energy & fuels 34 (4), 4071-4083, 2020
6 2020 Aluminum cluster for CO and O2 adsorption B Samanta, T Sengupta, S Pal
Journal of Molecular Modeling 25, 1-15, 2019
6 2019 Theoretical study of C–X [X= Cl, Br] bond activation on aluminum nanoclusters T Sadhukhan, B Samanta, SA Ansari, S Pal
Theoretical Chemistry Accounts 135, 1-10, 2016
6 2016 Effect of ligand attachment on the C–I bond dissociation process on aluminum nanoclusters: A DFT investigation T Sengupta, B Samanta, S Pal
The Journal of Physical Chemistry C 121 (32), 17354-17364, 2017
4 2017 Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe2 AlB2 : A First-Principles Study B Samanta, YL Loh, D Çakır
The Journal of Physical Chemistry C 128 (3), 1230-1242, 2024
1 2024 First-principles investigation of mechanical and thermal properties of SO Akande, B Samanta, C Sevik, D Çakır
Physical Review Applied 20 (4), 044064, 2023
1 2023 First-Principles Investigation of Oxidation Mechanisms in MoAlB B Samanta, D Çakır
The Journal of Physical Chemistry C 127 (43), 21289-21298, 2023
1 2023 Cooperative Fe Sites on Transition Metal (Oxy) hydroxides for High Oxygen Evolution Activity Y Ou, L Twight, B Samanta, L Liu, S Biswas, J Fehrs, N Sagui, J Villalobos, ...
1 2023 NiFe-mixed metal porphyrin aerogels as oxygen evolution reaction catalysts in alkaline electrolysers W Moschkowitsch, B Samanta, N Zion, HC Honig, DA Cullen, MC Toroker, ...
Nanoscale 14 (48), 18033-18040, 2022
1 2022 Synthesis and characterization of a remarkable ternary boride: Mo2NiB2 S Gupta, J Zhang, G Ngige, M Dey, M Malusky, B Samanta, D Çakır, ...
Open Ceramics, 100556, 2024
2024 NiOx passivation in perovskite solar cells: from surface reactivity to device performance J Mohanraj, B Samanta, O Almora, R Escalante, LF Marsal, S Jenatsch, ...
arXiv preprint arXiv:2402.10286, 2024
2024 Elucidating the Oxidation Mechanisms in Cr2 AlB2 Using Density Functional Theory and Thermodynamic Modeling SO Akande, B Samanta, U Adhikarige, D Cakir
JOURNAL OF PHYSICAL CHEMISTRY C, 2024
2024 Elucidating the Oxidation Mechanisms in Cr2 AlB2 Using Density Functional Theory and Thermodynamic Modeling S Omotayo Akande, B Samanta, U Adhikarige, D Çakır
The Journal of Physical Chemistry C, 2024
2024 Cooperative Fe-Sites in Nickel and Cobalt Oxyhydroxides LP Twight, Y Ou, B Samanta, L Liu, S Biswas, JL Fehrs, ...
Electrochemical Society Meeting Abstracts 243, 2063-2063, 2023
2023 Effect of Ligand Attachment on the C–I Bond Dissociation Process on Aluminum Nanoclusters: A DFT Investigation S Turbasu, S Bipasa, P Sourav
2017 
Maytal Caspary TorokerProfessor of Department of Materials Science and Engineering, Technion - Israel Institute ofE-mail confirmado em tx.technion.ac.il
