Soumendu Datta

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We discuss the electrochemical reactions at the oxygen electrode of an aprotic Li-air battery. Using density functional theory to estimate the free energy of intermediates during the discharge and charge of the battery, we introduce a reaction free energy diagram and identify possible origins of the overpotential for both processes. We also address the(More)
We study the time until a filter becomes clogged due to the trapping of suspended particles as they pass through a porous medium. This trapping progressively impedes and eventually stops the flow of the carrier fluid. We develop a simple description for the pore geometry and the motion of the suspended particles which, together with extreme-value(More)
initio study of structural stability of small 3d late transition metal clusters: Interplay of magnetization and hybridization. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share(More)
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