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Work Function Tunable Titanium Carbonitride Nanostructures for High-Efficiency, Rechargeable Li-Iodine Batteries

Anju, VG and Austeria, Muthu P and Sampath, S (2017) Work Function Tunable Titanium Carbonitride Nanostructures for High-Efficiency, Rechargeable Li-Iodine Batteries. In: ADVANCED MATERIALS INTERFACES, 4 (15).

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Official URL: http://doi.org/10.1002/admi.201700151


Present study discusses the effects of parameters like work function, adsorption energy, and density of states in tuning the electrocatalytic activity of highly stable, corrosion resistant, ceramic, titanium carbonitride nano-structures. Kelvin force microscopy reveals that the work function of titanium carbonitrides can be tuned from TiN (3.8 eV) to TiC (5.3 eV), through various TiCxNy compositions. The composition, TiC0.7N0.3, possesses a value of 4.85 eV, close to the potential of the redox couple (I-3(-)/I-, 4.9 eV) with favorable adsorption characteristics. Density functional theory calculations reveal favorable interactions between TiC0.7N0.3 and iodine/iodide couple. Nanostructures of TiC0.7N0.3 with several micron length are synthesized and the mechanism of formation is deciphered to be based on oriented growth in one dimension. The nanostructures are very effective catalysts for I-3(-)/I- redox reaction that leads to Li-I-2 batteries with superior gravimetric energy density of 447 Wh kg(-1) and a high open circuit voltage of 3.3 V. The battery delivers reversible stable capacity of 254 and 160 mAh g(-1) at drain currents of 2.5 and 5 mA cm(-2), respectively, with a Coulombic efficiency = 98%. The tailored battery can hold high drain currents of 10 mA cm(-2), delivering stable capacity for approximate to 7000 cycles.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the WILEY, 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 01 Sep 2017 07:21
Last Modified: 21 Feb 2019 09:24
URI: http://eprints.iisc.ac.in/id/eprint/57702

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