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cond-mat.mtrl-sci2022★ 47 cited
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…
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…