@article {46952,
	title = {Catalyst-free regioselective [3+2] cycloadditions of alpha,beta-unsaturated N-arylnitrones with alkenes to access functionalized isoxazolidines: a DFT study},
	journal = {Chemistry-An Asian Journal},
	volume = {15},
	year = {2020},
	month = {MAR},
	pages = {899-903},
	type = {Article},
	abstract = {<p>The catalyst-free regioselective [3+2]-cycloaddition of alpha,beta-unsaturated N-arylnitrones with alkenes are developed. The series of synthetically important functionalized isoxazolidines are prepared in good to excellent yields by step economic pathway under ligand and transition-metal-free conditions. The regioselective cycloaddition pathway supported by control experiment and computational study.</p>
},
	keywords = {DFT study, isoxazolidines, metal and ligand free, nitrone cycloaddition, Regioselective},
	issn = {1861-4728},
	doi = {10.1002/asia.201901754, Early Access Date = FEB 2020},
	author = {Ghosh, Arnab and Mane, Manoj V. and Rode, Haridas B. and Patil, Siddappa A. and Sridhar, Balasubramanian and Dateer, Ramesh B.}
}
@article {49367,
	title = {Aluminium, nitrogen-dual-doped reduced graphene oxide Co-existing with cobalt-encapsulated graphitic carbon nanotube as an activity modulated electrocatalyst for oxygen electrocatalyst for oxygen electrochemistry applications},
	journal = {Small},
	volume = {20},
	year = {2024},
	month = {AUG},
	type = {Article},
	abstract = {<p>
	There is a rising need to create high-performing, affordable electrocatalysts in the new field of oxygen electrochemistry. Here, a cost-effective, activity-modulated electrocatalyst with the capacity to trigger both the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) in an alkaline environment is presented. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with cobalt-encapsulated carbon nanotube units. Based on X-ray Absorption Spectroscopy (XAS) studies, it is established that the superior reaction kinetics in Al, Co/N-rGCNT over their bulk counterparts can be attributed to their electronic regulation. The Al, Co/N-rGCNT performs as a versatile bifunctional electrocatalyst for zinc-air battery (ZAB), delivering an open circuit potential approximate to 1.35 V and peak power density of 106.3 mW cm-2, which are comparable to the system based on Pt/C. The Al, Co/N-rGCNT-based system showed a specific capacity of 737 mAh gZn-1 compared to 696 mAh gZn-1 delivered by the system based on Pt/C. The DFT calculations indicate that the adsorption of Co in the presence of Al doping in NGr improves the electronic properties favoring ORR. Thus, the Al, Co/N-rGCNT-based rechargeable ZAB (RZAB) emerges as a highly viable and affordable option for the development of RZAB for practical applications. This manuscript reports the development of a new bifunctional catalyst that exhibits high activity and stability under practical operating conditions. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with the in situ formed cobalt-encapsulated CNT units is synthesized by a scalable pyrolysis method in an inert Ar atmosphere. The developed electrocatalyst achieved enhanced the oxygen reduction reaction (ORR) and the oxygen evolution reaction OER activity as a result of the favorable synergistic modulations and the system can serve as a process-friendly air-electrode for rechargeable zinc-air battery (RZAB). image</p>
},
	keywords = {Al, Bifunctional catalyst, DFT study, encapsulated structure, N-dual doping, Oxygen Evolution Reaction, oxygen reduction reaction, rechargeable zinc-air battery, X-ray absorption spectroscopy},
	issn = {1613-6810},
	doi = {10.1002/smll.202400012},
	author = {Kharabe, Geeta Pandurang and Barik, Sidharth and Veeranmaril, Sudheesh Kumar and Nair, Aathira and Illathvalappil, Rajith and Yoyakki, Athira and Joshi, Kavita and Vinod, Chathakudath Prabhakaran and Kurungot, Sreekumar}
}
