16 citations · 30 across the 4 of their papers we have counts for
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Defect engineering in two-dimensional pentagonal PdTe: Tuning electronic, optical, and magnetic properties
Poonam Sharma, Vaishali Roondhe, Alok Shukla
Recently, the successful synthesis of the pentagonal form of PdTe monolayer (\emph{p}-PdTe) was reported [Liu~\emph{et al.}, Nature Materials \textbf{23}, 1339 (2024)].…
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…
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…
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…