DSpace JSPUI

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Issue Date	Title	Author(s)
2014	Functional Corannulene: Diverse Structures, Enhanced Charge Transport, and Tunable Optoelectronic Properties	Sanyal, Somananda; Manna, Arun K.; Pati, Swapan Kumar
2014	Improved catalytic activity of rhodium monolayer modified nickel (110) surface for the methane dehydrogenation reaction: a first-principles study	Bothra, Pallavi; Pati, Swapan Kumar
2014	Effects of edge passivations on the electronic and magnetic properties of zigzag boron-nitride nanoribbons with even and odd-line stone-wales (5-7 pair) defects	Yamijala, Sharma S. R. K. C.; Pati, Swapan Kumar
2014	Electronic properties of zigzag, armchair and their hybrid quantum dots of graphene and boron-nitride with and without substitution: A DFT study	Yamijala, Sharma S. R. K. C.; Bandyopadhyay, Arkamita; Pati, Swapan Kumar
2014	Insertion of Line Defect in Nanoribbons of Graphene, Boron Nitride, and Hybrid of Them: An AIMD Study	Ghosh, Dibyajyoti; Parida, Prakash; Pati, Swapan Kumar
2014	Formation Mechanism and Possible Stereocontrol of Bisphenol A Derivatives: A Computational Study	Banerjee, Swastika; Periyasamy, Ganga; Pati, Swapan Kumar
2014	Criticality of surface topology for charge-carrier transport characteristics in two-dimensional borocarbonitrides: design principles for an efficient electronic material	Banerjee, Swastika; Pati, Swapan Kumar
2014	Computational studies on magnetism and the optical properties of transition metal embedded graphitic carbon nitride sheets	Ghosh, Dibyajyoti; Periyasamy, Ganga; Pandey, Bradraj; Pati, Swapan Kumar
2014	Structural and Magnetic Properties of a Variety of Transition Metal Incorporated DNA Double Helices	Samanta, Pralok K.; Pati, Swapan Kumar
2014	Line defects at the heterojunction of hybrid boron nitride-graphene nanoribbons	Ghosh, Dibyajyoti; Parida, Prakash; Pati, Swapan Kumar
2014	Possible application of 2D-boron sheets as anode material in lithium ion battery: A DFT and AIMD study	Banerjee, Swastika; Periyasamy, Ganga; Pati, Swapan Kumar
2014	BN-decorated graphene nanoflakes with tunable opto-electronic and charge transport properties	Sanyal, Somananda; Manna, Arun K.; Pati, Swapan Kumar
2014	Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au-20 over Its Tetrahedral Conformer: A Systematic DFT Study	Yamijala, Sharma S. R. K. C.; Bandyopadhyay, Arkamita; Pati, Swapan Kumar
2014	Transition Metal Embedded Two-Dimensional C3N4-Graphene Nanocomposite: A Multifunctional Material	Ghosh, Dibyajyoti; Periyasamy, Ganga; Pati, Swapan Kumar
2014	A probe for ratiometric near-infrared fluorescence and colorimetric hydrogen sulfide detection and imaging in live cells	Maity, Debabrata; Raj, Anand; Samanta, Pralok K.; Karthigeyan, D.; Kundu, Tapas Kumar; Pati, Swapan Kumar; Govindaraju, T.
2014	A hexanuclear Cu(I) cluster supported by cuprophilic interaction: effects of aromatics on luminescence properties	Chakraborty, Anindita; Ramachandran, Krishna Kumar; Yamijala, Sharma S. R. K. C.; Pati, Swapan Kumar; Maji, Tapas Kumar
2014	A Thiazole Coumarin (TC) Turn-On Fluorescence Probe for AT-Base Pair Detection and Multipurpose Applications in Different Biological Systems	Narayanaswamy, Nagarjun; Kumar, Manoj; Das, Sadhan; Sharma, Rahul; Samanta, Pralok K.; Pati, Swapan Kumar; Dhar, Suman K.; Kundu, Tapas Kumar; Govindaraju, T.
2016	Anodic performance of black phosphorus in magnesium-ion batteries: the significance of Mg-P bond-synergy	Banerjee, Swastika; Pati, Swapan Kumar
2016	First-principles design of a borocarbonitride-based anode for superior performance in sodium-ion batteries and capacitors	Banerjee, Swastika; Neihsial, Siamkhanthang; Pati, Swapan Kumar
2016	Role of donor-acceptor macrocycles in sequence specific peptide recognition and their optoelectronic properties: a detailed computational insight	Bandyopadhyay, Arkamita; Pati, Swapan Kumar