59 citations · 158 across the 5 of their papers we have counts for
6 papers
Linear and Nonlinear Optical Properties of Graphene Quantum Dots: A Computational Study
Sharma S. R. K. C Yamijala, Madhuri Mukhopadhyay, Swapan K. Pati
Due to the advantage of tunability via size, shape, doping and relatively low level of loss and high extent of spatial confinement, graphene quantum dots (GQDs) are emerging as an…
Nitrogen Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au 20 Over its Tetrahedral Conformer: A Systematic DFT Study
Sharma SRKC Yamijala, Arkamita Bandyopadhyay, Swapan K Pati
Utilizing the strengths of nitrogen doped graphene quantum dot (N-GQD) as a substrate, here in, we have shown that one can stabilize the catalytically more active planar Au 20 (P-A…
Electronic properties of zigzag, armchair and their hybrid quantum dots of graphene and boron-nitride with and without substitution: A DFT study
Sharma SRKC Yamijala, Arkamita Bandhyopadyay, Swapan K Pati
Spin-polarized density functional theory calculations have been performed on armchair graphene quantum dots and boron-nitride quantum dots (A-G/BN-QDs) and the effect of carbon/bor…
Computational Studies on Structural and Excited State Properties of Modified Chlorophyll f with Various Axial Ligands
S R K Chaitanya Sharma Y, Ganga Periyasamy, Swapan K Pati
Time Dependent Density Functional Theory (TDDFT) calculations have been used to understand the excited state properties of "modified-chlorophyll" f ('Chlide' f), Chlide a, Chlide b…
Structural Stability, Electronic, Magnetic and Optical Properties of Rectangular Graphene and Boron-Nitride Quantum Dots: Effects of Size, Substitution and Electric Field
Sharma SRKC Yamijala, Arkamita Bandyopadhyay, Swapan K Pati
Using density functional theory calculations, we have examined the structural stability, electronic, magnetic and optical properties of rectangular shaped quantum dots (QDs) of gra…
Tuning the Electronic and Optical properties of Graphene and Boron-Nitride Quantum Dots through Molecular Charge-transfer Interactions
Arkamita Bandyopadhyay, Sharma SRKC Yamijala, Swapan K Pati
Spin-polarized first-principles calculations have been performed to tune the electronic and optical properties of graphene (G) and boron-nitride (BN) quantum dots (QDs) through mol…