Abstract
The electronic structure of SO3H functional groups in Nafion and Aquivion monomers was calculated. The effect of charge states of the functional group atoms on the proton mobility was studied.
References
Dokmaisrijan, S. and Spohr, E., J. Mol. Liq., 2006, vol. 129, p. 92. doi 1016/j.molliq.2006.08.015
Devanathan, R. and Dupuis, M., Phys. Chem. Chem. Phys., 2012, vol. 14, p. 11281. doi https://doi.org/10.1039/c2cp24132c
Postnov, V.N., Mel’nikova, N.A., Shul’meister, G.A., Novikov, A.G., Murin, I.V., and Zhukov, A.N., Russ. J. Gen. Chem., 2017, vol. 87, no. 11, p. 2754. doi 1134/S1070363217110391
Komarov, P.V., Veselov, I.N., Chu, P.P., Khalatur, P.G., and Khokhlov, A.R., Chem. Phys. Lett., 2010, vol. 487, p. 291. doi https://doi.org/10.1016/j.cplett.2010.01.049
Hiesgen, R., Morawietz, T., Handl, M., Corasaniti, M., and Friedrich, K.A., J. Electrochem. Soc., 2014, vol. 161, p. F1214. doi https://doi.org/10.1149/2.0701412jes
Delley, B., J. Chem. Phys., vol. 92, p. 508. doi https://doi.org/10.1063/1.458452
Perdew, J.P., Burke, K., and Ernzerhof, M., Phys. Rev. Lett., 1996, vol. 77, p. 3865. doi https://doi.org/10.1103/PhysRevLett.77.3865
Perdew, J.P. and Wang, Y., Phys. Rev. (B), 1992, vol. 45, p. 13244. doi https://doi.org/10.1103/PhysRevB.45.13244
Boese, A.D. and Handy, N.C., J. Chem. Phys., 2001, vol. 114, p. 5497. doi https://doi.org/10.1063/1.1347371
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Petrov, A.V., Murin, I.V. Electronic Structure of SO3H Functional Groups and Proton Mobility in Nafion and Aquivion Ionomer Membranes. Russ J Gen Chem 89, 553–555 (2019). https://doi.org/10.1134/S1070363219030320
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DOI: https://doi.org/10.1134/S1070363219030320