activity
20222026
most citedDensity Functional Theory Study of the Hydrogen Evolution Reaction in Haeckelite Boron Nitride Quantum Dots

47 citations · 61 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2026

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…

cond-mat.supr-con2025

Comment on "Superconductivity and Mott Physics in Organic Charge Transfer Materials"

Rupali Jindal, Sumit Mazumdar, R. Torsten Clay

Menke et al. recently claimed that superconductivity (SC) in the -phase organic charge-transfer solids (CTS) can be understood within the two-dimensional half-filled anisotropic…

cond-mat.mtrl-sci2024★ 7 cited

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…

cond-mat.mtrl-sci2023★ 7 cited

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…

cond-mat.mtrl-sci2022★ 47 cited

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…