47 citations · 61 across the 5 of their papers we have counts for
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Correlated-Electron Theory of Triplet-Triplet Multiexciton States in Polypentacene
Rupali Jindal, Alok Shukla, Sumit Mazumdar
We present correlated-electron calculations of optical spin-singlet and triplet-triplet multiexciton states in three- and four-unit pentacene oligomers as microscopic models for po…
First-Principles Study of Penta-CN2 Quantum Dots for Efficient Hydrogen Evolution Reaction
Rupali Jindal, Rachana Yogi, Alok Shukla
The objective of our research is to investigate the electrocatalytic properties of novel metal-free quantum dots (QDs) composed of the recently discovered 2D material penta-CN2, wi…
A first-principles study of the electronic, vibrational, and optical properties of planar SiC quantum dots
Rupali Jindal, Vaishali Roondhe, Alok Shukla
With the reported synthesis of a fully planar 2D silicon carbide (SiC) allotrope, the possibilities of its technological applications are enormous. Recently, several authors have c…
Density Functional Theory Study of the Hydrogen Evolution Reaction in Haeckelite Boron Nitride Quantum Dots
Rupali Jindal, Vaishali Sharma, Alok Shukla
To satisfy rising energy needs and to handle the forthcoming worldwide climate transformation, major research attention has been drawn to environmentally friendly, renewable, and a…