Microstructures and Proton Networks of Ionomer Film on the Surface of Platinum Single Atom Catalyst in Polymer Electrolyte Membrane Fuel Cells
Microstructures and Proton Networks of Ionomer Film on the Surface of Platinum Single Atom Catalyst in Polymer Electrolyte Membrane Fuel Cells
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聚合物电解质膜燃料电池铂单原子催化剂表面离聚物薄膜的微观结构和质子网络
DOI：
10.1021/acs.jpcc.1c07670
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发表时间：
2021-10
期刊：
影响因子：
--
通讯作者：
Junliang Zhang
中科院分区：
文献类型：
--
作者：
Jiabin You;Zhifeng Zheng;Liuxuan Luo;Xiaojing Cheng;Cehuang Fu;Shuiyun Shen;Guanghua Wei;Chao Wang;Junliang Zhang
铂单原子催化剂(SAC)具有超高的铂利用率和优异的电化学活性，是一种很有前途的质子交换膜燃料电池催化剂材料。然而，由于催化剂层中质子和氧气传输阻力的显著增加，铂SAC燃料电池的性能仍不足以满足实际应用的需要。本研究采用经典分子动力学(MD)模拟方法研究了铂囊表面离聚体薄膜的微结构和输运性质。结果表明，水合离聚体膜可分为三个区域：致密层区、中间区和顶部区。随着铂单原子负载量的增加，由于铂-离聚体界面亲水亲和力的提高，致密层区的亲水性组分也随之增加。水团主要集中在中部地区。此外，随着铂单原子负载量的增加，亲水物种与亲水物种之间的相互作用减弱。位于连续水团簇下方或上方的侧链呈向上或向下的构型，朝向水面。适当的铂囊负载对于促进亲水性团簇的连接性以及质子对铂囊的可获得性是至关重要的。
Pt single atom catalyst (SAC) is a promising catalyst material with ultrahigh Pt utilization efficiency and excellent electrochemical activity for PEMFCs. However, the performance of fuel cells with Pt SAC is still insufficient for practical applications, which is mainly resulting from the significant increasing proton and oxygen transport resistance in the catalyst layer. In this study, the microstructures and transport properties of ionomer film on the surface of Pt SACs are investigated by classic molecular dynamics (MD) simulations. It is found that the hydrated ionomer film can be divided into three regions including dense layer region, middle region, and top region. Hydrophilic components in dense layer region increase with higher Pt single atom loading, due to the rise of water affinity from the Pt–ionomer interface. Water clusters are mainly confined to the middle region. Besides, with the increase of Pt single atom loading, the interactions between hydrophilic and hydrophilic species are weaker. Side chains locate below or above the continuous water clusters show upward or downward configurations, heading to the water surface. An appropriate loading of Pt SACs is essential for promoting the connectivity of hydrophilic clusters as well as the accessibility of protons to Pt SACs.
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影响因子：
3.8
作者：
Kwon, Sung Hyun;Kang, Haisu;Lee, Seung Geol
通讯作者：
Lee, Seung Geol
DOI：
10.1002/cphc.201000190
发表时间：
2010-09
期刊：
Chemphyschem : a European journal of chemical physics and physical chemistry
影响因子：
--
作者：
Ram Subbaraman;D. Strmčnik;A. Paulikas;V. Stamenković;N. Markovic
通讯作者：
Ram Subbaraman;D. Strmčnik;A. Paulikas;V. Stamenković;N. Markovic
热退火合成双壳截角八面体Pt-Ni合金用于聚合物电解质膜燃料电池氧还原反应
影响因子：
2.9
作者：
Luo Xiashuang;Guo Yangge;Zhou Hongru;Ren Huan;Shen Shuiyun;Wei Guanghua;Zhang Junliang
通讯作者：
Zhang Junliang
DOI：
10.1021/acs.jpclett.9b02549
发表时间：
2019-10
期刊：
The journal of physical chemistry letters
影响因子：
--
作者：
Linhao Fan;Kangcheng Wu;Chasen Tongsh;M. Zhu;Xu Xie;K. Jiao
通讯作者：
Linhao Fan;Kangcheng Wu;Chasen Tongsh;M. Zhu;Xu Xie;K. Jiao
影响因子：
7.2
作者：
Dongqing Zhang;Liuming Yan;B. Yue;Yidong Hu;Wang Zhaomin;Weimiao Lv;Hui Wang
通讯作者：
Dongqing Zhang;Liuming Yan;B. Yue;Yidong Hu;Wang Zhaomin;Weimiao Lv;Hui Wang