材料科学
催化作用
毛细管冷凝
铂金
冷凝
化学工程
纳米尺度
粒子(生态学)
润湿
纳米技术
复合材料
吸附
有机化学
化学
热力学
物理
工程类
海洋学
地质学
作者
Clint John Cortes Otic,Shota Katayama,Masazumi Arao,Masashi Matsumoto,Hideto Imai,Ikuya Kinefuchi
标识
DOI:10.1021/acsami.3c19584
摘要
In polymer electrolyte membrane fuel cells, carbon-supported platinum (Pt/C) catalyst particles require sufficient water condensation within the nanoscale pores to effectively utilize the interior Pt catalysts. Since experimental visualizations with nanoscale precision of this phenomenon are not yet possible, we utilized a Pt/C catalyst particle reconstructed from segmented nanoimaging of a catalyst powder, which served as the computational domain for lattice density functional theory (LDFT) simulation of water condensation. Paired with experimental water uptake data, LDFT successfully simulated high-resolution water condensation, capturing both thin-film and capillary water condensation phenomena. Using a simple proton movement method within the water network, we reproduced the Pt utilization data from a CO stripping experiment. Our findings highlight that at low relative humidity (RH), Pt utilization is influenced by thin water film formations, mainly dictated by the wettability properties of surfaces within primary pores and the Pt/C catalyst particle's exterior. Conversely, at high RH, Pt utilization is attributed to capillary water condensation in medium-to-large sized pores. This approach contributes a qualitative and quantitative discussion on hypotheses regarding the mechanism of Pt utilization, supporting recent studies (e.g., Girod, R.; Nat. Catal. 2023, 6, (5), 383-391).
科研通智能强力驱动
Strongly Powered by AbleSci AI