Effect of carbon cathode morphology on the electrode/electrolyte interface structure


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The study has focused on identifying possible factors that determine differences in electrocatalytic activity between carbon cathodes with different morphologies in Li–air batteries. The structure of the aprotic solvent dimethyl sulfoxide at carbon surfaces, such as nanotube, graphene plane, and single- and multilayer graphene edges, has been investigated using molecular dynamics simulation. It has been found that the solvent has a layered structure near the graphene plane, the graphene edge, and the nanotube. Moreover, the sharpness of the solvent layers decreases with the increasing surface curvature. The interface structure at the edge of the multilayer graphene has a qualitatively different, chessboard structure. It has been assumed that the observed differences in the interfacial solvent structure can influence the concentration distribution of the Li+ and O2 reactants and in their adsorption rates, thereby affecting the kinetics of the oxygen reduction reaction.

作者简介

S. Kislenko

Joint Institute for High Temperatures

编辑信件的主要联系方式.
Email: kislenko@ihed.ras.ru
俄罗斯联邦, Moscow, 125412

S. Pavlov

Joint Institute for High Temperatures; Moscow Institute of Physics and Technology

Email: kislenko@ihed.ras.ru
俄罗斯联邦, Moscow, 125412; Dolgoprudnyi, Moscow oblast, 141701

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