114 citations · 573 across the 13 of their papers we have counts for
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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…
Potential reversible hydrogen storage in Li-decorated carbon allotrope PAI-Graphene: A first-principles study
Vikram Mahamiya, Alok Shukla, Brahmananda Chakraborty
Two-dimensional porous carbon nanomaterials are proven to be promising hydrogen storage substrates as they possess high surface area, large number of active sites, low molecular ma…
Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters
Vikram Mahamiya, Pritam Bhattacharyya, Alok Shukla
The choice of Gaussian basis functions for computing the ground-state properties of molecules, and clusters, employing wave-function-based electron-correlated approaches, is a well…