Henkensmeier, Dirk Cho, Hyeongrae Brela, Mateusz Michalak, Artur Dyck, Alexander Germer, Wiebke Ngoc My Hanh Duong Jang, Jong Hyun Kim, Hyoung-Juhn Nam, SukWoo Lim, Tae-Hoon 2024-01-20T10:31:06Z 2024-01-20T10:31:06Z 2021-09-05 2014-02-14 0360-3199 https://pubs.kist.re.kr/handle/201004/127089 Anion conducting polymers are potentially interesting for fuel cells, electrochemical pumps, and dye sensitized solar cells. Ether-containing polybenzimidazoles (PBI-OO and PBI-OPO) were synthesized and turned into anion conducting polymers by methylation. The thermal stability was shown to depend on the polymer structure and degree of methylation (dom). Tensile strength and modulus decrease between 50% and 75% dom, but stay constant or slightly increase over 75% dom again. At 65 degrees C, hydroxide, iodide, chloride, carbonate and bicarbonate conductivities of 0.1, 0.6, 19, 20, 31 mS/cm were obtained, respectively. The low hydroxide conductivity is due to the formation of a C-O bond in position 2 of the imidazolium, which reduces the number of free ions and is known to lead to imidazolium ring opening and further degradation steps. The effect of introduction of phenoxy groups into the main chain on the charge distribution, especially on position 2 and the methyl groups (positive charge on the methyl groups decreases the thermal stability), as well as on the ion bonding was thoroughly investigated by DFT calculations and correlated with experimental data. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. English PERGAMON-ELSEVIER SCIENCE LTD FOCK-SLATER CALCULATIONS EXCHANGE MEMBRANES ELECTROLYTE APPROXIMATION STABILITY ENERGY Anion conducting polymers based on ether linked polybenzimidazole (PBI-OO) Article 10.1016/j.ijhydene.2013.07.091 1 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, v.39, no.6, pp.2842 - 2853 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 39 6 2842 2853 scie scopus 000331920100045 2-s2.0-84895061289 Chemistry, Physical Electrochemistry Energy & Fuels Chemistry Electrochemistry Energy & Fuels Article; Proceedings Paper FOCK-SLATER CALCULATIONS EXCHANGE MEMBRANES ELECTROLYTE APPROXIMATION STABILITY ENERGY Polybenzimidazole Anion exchange membrane Anion conductivity Imidazolium DFT calculation