01617nas a2200265   4500008004100000022001400041245010300055210006900158260000800227300001400235490000600249520073700255653001800992653002001010653001501030653000901045653003001054653000901084100002301093700002101116700002201137700003601159700002501195856013101220       2020                        eng d  a2574-096200aTweaking palladium electronic structure to attain oxygen reduction activity superior to platinum/C0 aTweaking palladium electronic structure to attain oxygen reducti  cJUL  a6127-61320 v33 a<p>Enhancing oxygen reduction (ORR) activity through alloying is crucial to improve the performance of a fuel-cell catalysts. In this work, we have studied the alloying effects of 4f rare-earth (RE) metals with palladium. The modified catalyst exhibits better activity (E-onset = 1 V and E-1/2 = 0.88 V) and higher selectivity toward H2O (similar to 97%) compared to the state-of-the-art catalysts due to complete dissociation of O-2. Hirshfeld charge analysis and 2D-electron localization function reveal improved adsorbate-adsorbent interaction on the catalyst surface. This work paves a strategy to design highly selective non-Pt-based catalysts for the ORR by controlling electronic structures and surface oxide formation.</p>
10ad-band center10aDFT calculation10adurability10aEuPd10aoxygen reduction reaction10aYbPd1 aSarma, Saurav, Ch.1 aKaja, Sai, Manoj1 aMishra, Vidyanshu1 aVinod, Chathakudath, Prabhakara1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/tweaking-palladium-electronic-structure-attain-oxygen-reduction-activity-superior-platinumc03376nas a2200337   4500008004100000022001400041245023000055210006900285260000800354490000700362520209900369653000702468653002602475653001402501653002702515653001802542653003002560653003002590653003402620653003402654100003002688700002002718700003302738700001802771700002702789700002002816700001802836700003602854700002402890856012402914       2024                        eng d  a1613-681000aAluminium, 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 applications0 aAluminium nitrogendualdoped reduced graphene oxide Coexisting wi  cAUG0 v203 a<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>
10aAl10aBifunctional catalyst10aDFT study10aencapsulated structure10aN-dual doping10aOxygen Evolution Reaction10aoxygen reduction reaction10arechargeable zinc-air battery10aX-ray absorption spectroscopy1 aKharabe, Geeta, Pandurang1 aBarik, Sidharth1 aVeeranmaril, Sudheesh, Kumar1 aNair, Aathira1 aIllathvalappil, Rajith1 aYoyakki, Athira1 aJoshi, Kavita1 aVinod, Chathakudath, Prabhakara1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/aluminium-nitrogen-dual-doped-reduced-graphene-oxide-co-existing-cobalt-encapsulated