114 citations · 2.6k across the 115 of their papers we have counts for
116 papers
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…
High Capacity Hydrogen Storage on Zirconium decorated γ-graphyne: A systematic first-principles study
Mukesh Singh, Alok Shukla, Brahmananda Chakraborty
In this work, we investigate the hydrogen-storage properties of Zr-decorated -graphyne monolayer employing Density Functional Theory (DFT) for green energy storage. We predict t…
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…
Improving Hydrogen evolution catalytic activity of 2D carbon allotrope Biphenylene with B, N, P doping: Density Functional Theory Investigations
Mukesh Singh, Alok Shukla, Brahmananda Charkraborty
Using a first principles approach, we studied the hydrogen evolution reaction activity of newly synthesized biphenylene and B, N, P decorated biphenylene sheet. hydrogen evolution…
Engineering the electronic, magnetic, and optical properties of GaP monolayer by substitutional doping: a first-principles study
Khushboo Dange, Rachana Yogi, Alok Shukla
In this paper we present a thorough first-principles based density functional theory study of the structural stability, electronic, magnetic, and optical properties of pristine and…
A quantum approach for digital signal processing
Alok Shukla, Prakash Vedula
We propose a novel quantum approach to signal processing, including a quantum algorithm for low-pass and high-pass filtering, based on the sequency-ordered Walsh-Hadamard transform…