41 citations · 55 across the 7 of their papers we have counts for
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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…
Stanene: Atomically Thick Free-standing Layer of 2D Hexagonal Tin
Sumit Saxena, Raghvendra Pratap Choudhary, Shobha Shukla
Two dimensional (2D) layered materials have recently gained renewed interest due to their exotic electronic properties along with high specific surface area. The prospects of explo…
Pressure Effects on the Atomic and Electronic Structure of Aligned Small Diameter Carbon Nanotubes
Sumit Saxena, Trevor A. Tyson
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressur…