锡
材料科学
陶瓷
化学稳定性
过渡金属
质子交换膜燃料电池
吸附
离子键合
金属
电导率
涂层
化学键
化学工程
无机化学
冶金
复合材料
物理化学
化学
催化作用
燃料电池
有机化学
离子
工程类
作者
Yanjie Ren,Huayue Du,Chenyang Du,Jian Chen,Wei Li,Wei Qiu,Jyh‐Ping Hsu,Jizhou Jiang
标识
DOI:10.1016/j.apsusc.2019.07.272
摘要
Considering their excellent chemical stability and conductivity, transition metal carbide and transition metal nitride coatings are adopted to protect metallic bipolar plates in this study. However, the inevitable adsorption of oxygen on these coatings in the cathodic environment of proton exchange membrane fuel cell (PEMFC) influences their chemical stabilities and conductivities. To asses this influence, first-principle calculations are conducted using CrN, TiC and TiN as examples. We show that in the case of CrN, CrOx ionic bonds are formed on CrN (111), and TiOx formed on TiC (111) and TiN (111) for the case of TiC and TiN, respectively. In addition, the overlapping in the electron density difference distribution of CrO is more significant than that of TiO (TiN) and TiO (TiC). This suggests that CrN has a better chemical stability than TiN or TiC, and therefore, is more suitable for the protective coating of metallic bipolar plates, especially in the cathodic environment of PEMFC.
科研通智能强力驱动
Strongly Powered by AbleSci AI