41 citations · 41 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2022★ 41 cited
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…
cond-mat.mes-hall2017
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,…