Theoretical studies on membranes and non-platinum catalysts for polymer electrolyte fuel cells
Theoretical studies on membranes and non-platinum catalysts for polymer electrolyte fuel cells
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DOI：
10.1063/1.4938853
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发表时间：
2015-12
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影响因子：
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通讯作者：
H. Ushiyama
中科院分区：
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作者：
H. Ushiyama
从理论上研究了聚合物电解质燃料电池有机/无机材料界面高密度酸基团间质子转移的机理。已经清楚地表明，在无机材料磷酸锆（ZrP）的表面处的磷酸根基团与吸附的水分子之间的相互作用相对较大，并且在局部产生强氢键网络。由于强相互作用，水分子可以附着到ZrP上，并且O-O距离变得比本体水系统中的更短。由于ZrP表面原子的离域电荷和短的O-O距离，使得ZrP表面质子转移的活化能降低，即使在高温低湿条件下也具有较高的质子电导率。在此基础上，对杂化电解质高质子电导率的原因进行了探讨。我们还将讨论在非铂催化剂如Ta 3 N5上的氧还原反应的机理。
Mechanism of proton transfer among high-density acid groups in the interface between organic and inorganic materials for polymer electrolyte fuel cells has been theoretically examined. It has been clearly shown that the interactions between the phosphate groups at the surface of the inorganic material, zirconium phosphate (ZrP), and the adsorbed water molecules are relatively large and a strong hydrogen-bond network is generated locally. Because of the strong interactions, water molecules can be attached to ZrP and the O–O distance becomes shorter than that in bulk water systems. Because of the short O–O distances and the delocalized charge of each atom, the activation energy of proton transfer at the ZrP surface decreases and causes high proton conductivity even under conditions of high temperature and low humidity. Based on the above studies, the origin of the high proton conductivity of hybrid electrolytes is also discussed. We will also discuss the mechanism of oxygen reduction reaction on non-platinum catalysts such as Ta3N5.