揭示质子交换膜水电解中多孔传输层的结构-性能权衡
Unraveling Structure-Performance Trade-offs in Porous Transport Layers for PEM Water Electrolysis
AI总结：
本文通过多尺度计算框架揭示了多孔传输层在质子交换膜水电解中的结构-性能权衡，展示了单层、双层及分层结构对性能的影响，为优化PTL设计提供了指导。
摘要：
可扩展的氢气生产依赖于克服膜电极组装中耦合的多相、多组分传输及界面现象带来的效率损失。本文展示了一个多尺度计算框架，结合孔隙网络建模与基于有限元的反应传输模拟，以准确高效地解析多孔传输层（PTL）的结构-性能权衡。我们对商业单层PTL和微孔层（MPL）集成配置进行了实验，以验证电化学模型，实现了建模与测量之间出色的一致性和准确性。我们证明，在单层PTL中，开放的多孔网络促进质量传输，但会导致PTL-阳极催化剂层（ACL）接触电阻的较大电压损失。双层架构具有致密的MPLs，通过同时改善传输、接触和结构稳定性来减少这些损失。最后，在分层多层堆叠中，结合靠近ACL的细孔与高孔隙率的底层，可在高电流密度下实现优越性能。这些结果为基于孔隙率的PTL设计提供了机理指南，以最小化界面电阻并实现高效PEMWE操作。
英文摘要：
Scalable hydrogen production using proton exchange membrane water electrolyzers depends on overcoming efficiency losses arising from coupled multiphase, multicomponent transport and interfacial phenomena across the membrane electrode assembly. Here, we demonstrate a multiscale computational framework that combines pore network modeling with finite-element-based reactive transport simulations to accurately and efficiently resolve structure-performance trade-offs in porous transport layers (PTLs). We perform experiments for both commercial single-layer PTLs and microporous layer (MPL)-integrated configurations to benchmark the electrochemical model, achieving excellent agreement between modeling and measurements. We show that in single-layer PTLs, open porous networks facilitate mass transport but incur large voltage penalties from PTL-anode catalyst layer (ACL) contact resistance. Bilayer architectures with dense MPLs reduce these losses by simultaneously improving transport, contact, and structural stability. Finally, in stratified multilayer stacks, combining fine pores near the ACL with highly porous backing layers delivers superior performance at high current densities. Altogether, these results establish mechanistic guidelines for porosity-informed PTL design that minimize interfacial resistance and enable high-efficiency PEMWE operation.
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