Expertise
- Condensed Matter Physics
Publications
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47
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Citations
7991
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Professional Recognition
Fellowship
The Academy of Sciences, ChennaiCommunity & Membership
European Science Foundation-Ψk network
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Bio
Computational Condensed Matter Physics, Energy and Environmental Technologies, Computational Materials Science.
Personal Details
- Male
- Thiruvarur, Tamil Nadu, India
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Co-Authors (11)
Bhabha Atomic Research Centre (BARC), Mumbai
University of Madras
Indian Institute of Technology Ropar
Banaras Hindu University
Central Electrochemical Research Institute
Rani Anna Government College for Women, Tirunelveli - 627 008
Banaras Hindu University
Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam
Anna University
Scholarly Work
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Quantum-mechanical modeling of complex hydrides
Bonding and physical properties of half-heusler phases
Tailoring the electronic bandgap and band edge positions of C2N monolayer for photocatalytic water splitting: first principle studies
Investigation on Novel Nanostructured Materials for Sustainable Energy Applications
First principles modelling of multiferroic with giant magnetoelectric coupling
An Ab-initio study on designing hydrogen storage materials for mobile apllications
First principles studies on ammonia borane and transition metal based complex hydrides for hydrogen storage applications
First principles study on designing earth abundant, non-toxic and direct band gap materials for high efficiency solar cells
Designing high efficiency thermos electrics from Heusler compounds using Ab-Initio calculations
First-principles investigations on Li- rich high-energy-density cathodes for Li-ion batteries
First-principles investigations on Mn based polyanionic cathodes for sodium iojn batteries
First-principles investigations on Graphen oxide derivatives for Photocatalytic hydrogen production
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Scholarly Publications
Theoretical investigation on the effect of multinary isoelectronic substitution on TiCoSb based half-Heusler alloys
Open AccessEffect of anionic and cationic substitutions on the magnetic property of hydrated α-MnO<inf>2</inf>
Open AccessTi<sup>4+</sup> substituted magnesium hydride as promising material for hydrogen storage and photovoltaic applications
Open AccessGiant Magnetoelectric Coupling in Multiferroic PbTi1-xVxO3 from Density Functional Calculations
Open AccessEarth-abundant nontoxic direct band gap semiconductors for photovoltaic applications by ab-initio simulations
Open AccessLi-rich Li<inf>6</inf>Mn<inf>x</inf>Fe<inf>(1- x)</inf>S<inf>4</inf> as cathode material for Li-ion battery
Open AccessPotential hydrogen storage materials from metal decorated 2D-C<inf>2</inf>N: An: ab initio study
Open Access
10.1039/c9cp05105h
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