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Facile Proton Transport in Ammonium Borosulfate-An Unhumidified Solid Acid Polyelectrolyte for Intermediate Temperatures.
Advanced Materials ( IF 29.4 ) Pub Date : 2020-09-13 , DOI: 10.1002/adma.202003667
Matthew D Ward 1 , Brian L Chaloux 1 , Michelle D Johannes 2 , Albert Epshteyn 1
Affiliation  

High proton conductivity is reported for unhumidified ammonium borosulfate, NH4[B(SO4)2], a solid acid coordination polymer that contains 1D, hydrogen‐bonded NH4+···1[B(SO4)4/2] chains. NH4[B(SO4)2] is thermally stable to 320 °C and is amenable to sintering into monolithic, polycrystalline discs at 200 °C and about 300 MPa of uniaxial pressure. Impedance spectroscopy measurements reveal ionic conductivities for sintered ammonium borosulfate of 0.1 mS cm−1 at 25 °C and up to 10 mS cm−1 at 180 °C in ambient air. No superprotonic transition is observed in the temperature range of 25–180 °C. Ab initio molecular dynamics simulations show these high conductivities are aided by free rotation of the NH4+ units and significant gyrational mobility of the SO4 tetrahedra, which, in turn, provide facile pathways for proton locomotion. High conductivities, a wide operational temperature window, and tolerance to both ambient and anhydrous conditions make NH4[B(SO4)]2 an attractive candidate electrolyte for intermediate‐temperature hydrogen fuel cells that may enable operation at temperatures as high as 300 °C without active humidification.

中文翻译:

硼酸铵(中温未湿固体酸聚电解质)中的质子传输容易。

高的质子传导性被报告为不增湿铵borosulfate,NH 4 [B(SO 42 ],包含1D,氢键合的NH的固体酸的配位聚合物4 + ... 1 [B(SO 44/2 ] -链。NH 4 [B(SO 42 ]对热稳定至320°C,并易于在200°C和约300 MPa的单轴压力下烧结成单片多晶盘。阻抗谱测量表明,在25°C和最高10 mS cm -1的条件下,烧结的硼硫酸铵0.1 mS cm -1的离子电导率在180°C的环境空气中。在25–180°C的温度范围内未观察到超质子转变。从头算分子动力学模拟表明,这些高电导率受NH 4 +单元的自由旋转和SO 4四面体的明显回旋运动的辅助,这反过来又为质子运动提供了便捷的途径。高电导率,宽广的工作温度范围以及对环境和无水条件的耐受性使NH 4 [B(SO 4)] 2成为中温氢燃料电池的有吸引力的候选电解质,可在高达300°C的温度下运行C没有主动加湿。
更新日期:2020-10-20
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