01474nas a2200181   4500008004100000022001400041245007800055210006900133260000800202300001600210490000800226520086800234100002001102700002001122700002701142700001801169856010501187       2024                        eng d  a1932-744700aHigh-capacity V2N MXene for multivalent ion batteries: an Ab initio study0 aHighcapacity V2N MXene for multivalent ion batteries an Ab initi  cJUL  a12840-128480 v1283 a<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>
1 aSaharan, Sunita1 aGhanekar, Umesh1 aShivankar, Bhavana, R.1 aMeena, Shweta  uhttps://library.ncl.res.in/content/high-capacity-v2n-mxene-multivalent-ion-batteries-ab-initio-study