Bipasa Samanta

Indiana University Bloomington — United States

Energy · Physical Sciences

9h-index474citations26works3.62yr avg
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Research Topics

Electrocatalysts for Energy Conversion(5), MXene and MAX Phase Materials(5), Intermetallics and Advanced Alloy Properties(4), Advanced battery technologies research(4), Advanced Chemical Physics Studies(3)

Publications26 total

A Conjugated Oligoelectrolyte Exhibiting Room Temperature Spin-Correlated Radical Pair Character for Biological Sensing
Journal of the American Chemical Society·2025· 1 citedOpen Access
In-plane Ni–O–Ni bond angles as structural fingerprints of superconductivity in layered nickelates: Effects of pressure, strain, layering, and correlations
Physical Review Materials·2025· 3 cited
A Conjugated Oligoelectrolyte Exhibiting Room Temperature Spin-Correlated Radical Pair Character for Biological Sensing
2025Open Access
In-Plane Ni-O-Ni Bond Angles as Structural Fingerprints of Superconductivity in Layered Nickelates: Effects of Pressure, Strain, Layering, and Correlations
arXiv (Cornell University)·2025Open Access
<i>Ab initio</i> prediction of phase stability of quaternary Mo1−<i>x</i>M<i>x</i>AlB (M = Cr, Fe, Mn, Nb, Sc, Ta, Ti, V, and W) MAB solid solutions
Journal of Applied Physics·2024· 2 cited
NiO<sub><i>x</i></sub> Passivation in Perovskite Solar Cells: From Surface Reactivity to Device Performance
ACS Applied Materials & Interfaces·2024· 20 cited
Electron-phonon coupling and thermal conductivity of MAB compounds
Physical Review Materials·2024· 3 cited
Synthesis and characterization of a remarkable ternary boride: Mo2NiB2
Open Ceramics·2024· 4 citedOpen Access
NiOx passivation in perovskite solar cells: from surface reactivity to device performance
arXiv (Cornell University)·2024· 2 citedOpen Access
Elucidating the Oxidation Mechanisms in Cr<sub>2</sub>AlB<sub>2</sub> Using Density Functional Theory and Thermodynamic Modeling
The Journal of Physical Chemistry C·2024
Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe<sub>2</sub>AlB<sub>2</sub>: A First-Principles Study
The Journal of Physical Chemistry C·2024· 5 cited
Cooperative Fe sites on transition metal (oxy)hydroxides drive high oxygen evolution activity in base
Nature Communications·2023· 185 citedOpen Access
First-principles investigation of mechanical and thermal properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mi>M</mml:mi><mml:mstyle displaystyle="false" scriptlevel="0"><mml:mrow><mml:mi>Al</mml:mi><mml:mi mathvariant="normal">B</mml:mi></mml:mrow></mml:mstyle></mml:math> (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mi>M</mml:mi><mml:mo>=</mml:mo><mml:mi>Mo</mml:mi><mml:mo>,</mml:mo><mml:mrow><mml:mi mathvariant="normal">W</mml:mi></mml:mrow></mml:math>), <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:msub><mml:mi>Cr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi>Al</mml:mi><mml:mi mathvariant="normal">B</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>, and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:msub><mml:mi>Ti</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi>In</mml:mi><mml:mi mathvariant="normal">B</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>
Physical Review Applied·2023· 10 cited
First-Principles Investigation of Oxidation Mechanisms in MoAlB
The Journal of Physical Chemistry C·2023· 4 cited
Cooperative Fe-Sites in Nickel and Cobalt Oxyhydroxides
ECS Meeting Abstracts·2023
Cooperative Fe Sites on Transition Metal (Oxy)hydroxides for High Oxygen Evolution Activity
2023· 4 citedOpen Access
Cooperative Fe Sites on Transition Metal (Oxy)hydroxides for High Oxygen Evolution Activity in Base
Figshare·2023Open Access
Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles
Journal of Chemical Information and Modeling·2022· 13 citedOpen Access
NiFe-mixed metal porphyrin aerogels as oxygen evolution reaction catalysts in alkaline electrolysers
Nanoscale·2022· 3 citedOpen Access
Challenges of modeling nanostructured materials for photocatalytic water splitting
Chemical Society Reviews·2022· 141 citedOpen Access
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Frequent Co-authors

Maytal Caspary Toroker(10), Deniz Çakır(7), Yingqing Ou(4), Lu Liu(4), Santu Biswas(4), Jessica L. Fehrs(4), Shannon W. Boettcher(4), Juan A. Anta(4), Sourav Pal(4), Alexandru B. Georgescu(4), Nicole Sagui(3), Javier Villalobos(3), Joaquín Morales‐Santelices(3), Denis Antipin(3), Marcel Risch(3), Turbasu Sengupta(3), Liam Twight(2), John Mohanraj(2), Osbel Almora(2), Renán Escalante(2)