47 citations · 97 across the 4 of their papers we have counts for
4 papers
On Using Non-Kekule' Triangular Graphene Quantum Dots for Scavenging Hazardous Sulfur Hexafluoride Components
Vaishali Roondhe, Basant Roondhe, Sumit Saxena +2
The goal of the present study is to explore how the size and functionalization of graphene quantum dots (GQDs) affect their sensing capabilities. Specifically, we investigated the…
Density Functional Theory Study of the Hydrogen Evolution Reaction in Haeckelite Boron Nitride Quantum Dots
Rupali Jindal, Vaishali Sharma, Alok Shukla
To satisfy rising energy needs and to handle the forthcoming worldwide climate transformation, major research attention has been drawn to environmentally friendly, renewable, and a…
Role of Functionalized Graphene Quantum Dots in Hydrogen Evolution Reaction: A Density Functional Theory Study
Vaishali Sharma, Basant Roondhe, Sumit Saxena +1
Density functional theory (DFT) can be quite advantageous in advancing the field of catalysis because of the microscopic insights it provides, and thus can guide experimental searc…
Tailoring the Electronic and Magnetic Properties of Peculiar triplet-ground-state Polybenzoid Triangulene
Vaishali Sharma, Som Narayan, Shweta D Dabhi +1
In the present work we have studied the structural and electronic properties of recently synthesized elusive free standing triangulene using density functional theory. Triangulene,…