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114 Publications
31 Journals
Bhabani S. Mallik
Professor
Department of Chemistry
bhabani@chy.iith.ac.in (Work)
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Publications - 114
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Publications (114)
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Publications (114)
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Articles
Anisotropy and Hybrid Heterosurface-Modulated Two-Dimensional Hydrogen Bond Network of Water
A. Priyadarsini
and
Bhabani S. Mallik
2023 | American Chemical Society
Articles
Nitrogen substitution induced lattice contraction in nickel nanoparticles for electrochemical hydrogen evolution from simulated seawater
B. Singh
,
A.K. Singh
,
...
,
Bhabani S. Mallik
and
A. Indra
(11 authors)
2023 | Royal Society of Chemistry
Articles
Ambipolar Electrochemistry of Pre-Intercalated Ti3C2Tx MXene in Ionic Liquid Electrolyte
G. Valurouthu
,
R. Panigrahi
,
...
,
Bhabani S. Mallik
,
Narendra Kurra
and
Y. Gogotsi
(7 authors)
2023 | John Wiley and Sons Inc
Articles
Ligand-Mediated Hydrogen Evolution by Co(II) Complexes and Assessment of the Mechanism by Computational Studies
M. Raj
,
K. Makhal
,
...
,
Bhabani S. Mallik
and
S.K. Padhi
(5 authors)
2023 | American Chemical Society
Articles
Direct Correlation between Short-Range Vibrational Spectral Diffusion and Localized Ion-Cage Dynamics of Water-in-Salt Electrolytes
A. Biswas
and
Bhabani S. Mallik
2023 | American Chemical Society
Articles
Copper Complex Catalyzed Two-Electron and Proton Shuttle Mechanism of O-O Bond Formation from DFT-Based Metadynamics Simulations
K.R. Gorantla
and
Bhabani S. Mallik
2023 | American Chemical Society
Articles
Structural evolution of a water oxidation catalyst by incorporation of high-valent vanadium from the electrolyte solution
B. Singh
,
Y.-C. Huang
,
...
,
Bhabani S. Mallik
,
...
,
A. Indra
(9 authors)
2023 | Royal Society of Chemistry
Articles
Cage Dynamics-Mediated High Ionic Transport in Li-O2 Batteries with a Hybrid Aprotic Electrolyte: LiTFSI, Sulfolane, and N,N-Dimethylacetamide
N. Dhananjay
and
Bhabani S. Mallik
2023 | American Chemical Society
Articles
Three-Electron Two-Centered Bond and Single-Electron Transfer Mechanism of Water Splitting via a Copper-Bipyridine Complex
K.R. Gorantla
and
Bhabani S. Mallik
2023 | American Chemical Society
Articles
2D IR spectra of the intrinsic vibrational probes of ionic liquid from dispersion corrected DFT-MD simulations
A. Biswas
and
Bhabani S. Mallik
2022 | Elsevier B.V.
Articles
Ionic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic N-H Vibrational Probe from FPMD Simulations
A. Biswas
and
Bhabani S. Mallik
2022 | American Chemical Society
Articles
Conformational dynamics of polymers in ethylammonium nitrate from advanced sampling methods
S. Dasari
and
Bhabani S. Mallik
2022 | Elsevier B.V.
Articles
Experimental and molecular dynamic insights on the thermophysical properties for MWCNT-Phosphonium based eutectic thermal media
N. Kumar Das
,
P. Kumar Naik
,
...
,
Bhabani S. Mallik
,
...
,
T. Banerjee
(6 authors)
2022 | Elsevier B.V.
Articles
Microheterogeneity-Induced Vibrational Spectral Dynamics of Aqueous 1-Alkyl-3-methylimidazolium Tetrafluoroborate Ionic Liquids of Different Cationic Chain Lengths
A. Biswas
and
Bhabani S. Mallik
2022 | American Chemical Society
Articles
An oxygen-bridged bimetallic [Cu-O-Se] catalyst for Sonogashira cross-coupling
S.K. Sahu
,
P. Choudhury
,
...
,
Bhabani S. Mallik
,
...
,
L. Rout
(10 authors)
2022 | Royal Society of Chemistry
Articles
Structure and rotational dynamics of water around hydrogen peroxide
A. Priyadarsini
and
Bhabani S. Mallik
2022 | Elsevier B.V.
Articles
Mechanistic Insights into Cobalt-Based Water Oxidation Catalysis by DFT-Based Molecular Dynamics Simulations
K.R. Gorantla
and
Bhabani S. Mallik
2022 | American Chemical Society
Articles
Vibrational spectral dynamics and ion-probe interactions of the hydrogen-bonded liquids in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
A. Biswas
and
Bhabani S. Mallik
2022 | Elsevier B.V.
Articles
Fluorescent sensing of water in DMSO by 2,4-dinitrophenyl hydrazine derived Schiff base
R. Behura
,
S. Behera
,
...
,
Bhabani S. Mallik
,
...
,
B.R. Jali
(8 authors)
2022 | Elsevier B.V.
Articles
Site dependent catalytic water dissociation on an anisotropic buckled black phosphorus surface
A. Priyadarsini
and
Bhabani S. Mallik
2022 | Royal Society of Chemistry
Showing 1-20 of 114 results
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