141 citations · 244 across the 13 of their papers we have counts for
4 papers · 1 filter
Characterization of Silicon Carbide Biphenylene Network through G0W0-BSE Calculations
Arushi Singh, Vikram Mahamiya, Alok Shukla
Two-dimensional silicon carbide stands out among 2D materials, primarily due to its notable band gap, unlike its carbon-based counterparts. However, the binary nature and non-layer…
Enhanced hydrogen evolution reaction activity of nitrogen deficient quantum dot
Khushboo Dange, Vaishali Roondhe, Alok Shukla
The present study investigates the catalytic performance of a quantum dot aimed at enhancing electrochemical water splitting, using the first-principles density fun…
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…
DFT and Model Hamiltonian Study of Optoelectronic Properties of Some Low-Symmetry Graphene Quantum Dots
Samayita Das, Alok Shukla
We have studied the electronic and optical properties of three low-symmetry graphene quantum dots (GQDs), with the point-group symmetries , and . For the calculatio…