141 citations · 244 across the 13 of their papers we have counts for
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Tuning the electronic and optical properties of hg-CN, quantum dots with edge-functionalization: A computational perspective
Khushboo Dange, Vaishali Roondhe, Alok Shukla
In this work, we have systematically investigated the structural, electronic, vibrational and optical properties of the edge-functionalized hg-C3N4 quantum dots with the aim of exp…
Defect-driven tunable electronic and optical properties of two-dimensional silicon carbide
Arushi Singh, Vikram Mahamiya, Alok Shukla
Recently, an atomic-scale two-dimensional silicon carbide monolayer has been synthesized {[}Polley \emph{et al., }Phys. Rev. Lett. \textbf{130},076203 (2023){]} which opens up new…
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…
Distinct contiguous versus separated triplet-pair multiexcitons in an intramolecular singlet fission chromophore
R. Chesler, P. Bhattacharyya, A. Shukla +1
We show from many-body quantum mechanical calculations that there occur structurally distinct triplet-pair eigenstates in the intramolecular singlet fission (iSF) compound pentacen…