@article {49389,
	title = {High-capacity V2N MXene for multivalent ion batteries: an Ab initio study},
	journal = {Journal of Physical Chemistry C},
	volume = {128},
	year = {2024},
	month = {JUL},
	pages = {12840-12848},
	type = {Article},
	abstract = {<p>
	In this study, the electrochemical energy storage properties of V2N MXene as an electrode material for multivalent zinc (Zn2+) and calcium (Ca2+) ion rechargeable batteries have been studied using first-principles computations. Various properties like band structure, adsorption energy, diffusion kinetics, and open-circuit voltage are investigated using density functional theory. V2N MXene demonstrates metallic properties with a high structural stability and low diffusion barriers. Remarkably, Zn (976.4 mA h/g) and Ca (770.8 mA h/g)-adsorbed V2N MXene layers exhibit better storage capacity than the reported ones (517 mA h/g for zinc-intercalated CC@MnO2@Ti3C2TX and 598.63 mA h/g for calcium-intercalated V3C2/graphene). These findings make V2N MXene a highly promising cathode material for zinc and an anode material for calcium-ion batteries.</p>
},
	issn = {1932-7447},
	doi = {10.1021/acs.jpcc.4c03063},
	author = {Saharan, Sunita and Ghanekar, Umesh and Shivankar, Bhavana R. and Meena, Shweta}
}
@article {49596,
	title = {Hot injection assisted electronically modulated twin and grain boundary rich sub-2 nm pt3co alloy resistant to phosphate ion for PEMFCs},
	journal = {Small},
	volume = {21},
	year = {2025},
	month = {MAY},
	type = {Article},
	abstract = {<p>
	Modulation of the electronic d-band center, structural defects (line defects), and particle size of Pt3Co alloy electrocatalyst have huge significance in elevating its electrochemical oxygen reduction reaction activity. Deviating from traditional high-temperature strategies, the current work focuses on ripening these benefits by implying a simple economically viable hot-injection-assisted modified polyol process. A conclusive control over decrementing particle size starting from 2.7 to 1.3 nm, an increasing degree of strain (twin boundary), and shifting of the d-band center away from the Fermi level are obtained via varying the temperature to which the solution is injected. The catalyst prepared via the injection at 200 degrees C (Pt3Co(1.3 t,g-b)/fVC-200) has delivered an electrochemical surface area of 84 m(2) g(Pt)(-1) with the onset and half-wave potentials of 0.980 and 0.858 V, respectively, versus RHE and a limiting current of -6.0 mA cm(-2) with stability till 20k cycles. In the high-temperature proton exchange membrane fuel cell Pt3Co(1.3 t,g-b)/fVC-200-based cell has outperformed Pt/C rendering 600 mWcm(-2) under H-2-Air compared to 529 mWcm(-2) of Pt/C with 20\% lower Pt loading and double the stability due to enhanced resistance toward phosphoric acid for accelerated voltage cycling. A similar enhancement is seen while employing the catalyst for low-temperature fuel cells.</p>
},
	keywords = {electrocatalyst, grain boundary, hot injection synthesis, modified polyol process, oxygen reduction reaction, proton exchange membrane fuel cell, Pt3Co alloy, twin boundary, valance band X-ray photoelectron spectroscopy},
	issn = {1613-6810},
	doi = {10.1002/smll.202500954},
	author = {Singh, Mayank U. and Jadhav, Swapnil D. and Shivankar, Bhavana R. and Pandikassala, Ajmal and Kumar, Yogesh and Krishnamurty, Sailaja and Vinod, C. P. and Kurungot, Sreekumar}
}
