酞菁铁（FePc）分子催化剂
作者：互联网
酞菁铁（FePc）分子催化剂
在已知的非Pt-ORR催化剂中，酞菁铁（FePc）分子催化剂因其独特的FeN4活性中心和较低的反应能垒而备受关注。然而，具有平面对称FeN4位点的FePc由于其对O2的吸附和活化能力较差，通常表现出较差的ORR活性。因此，打破电子结构的对称性将是提高FePc催化剂对O2的吸附/活化从而大大提高其ORR活性的有效策略。
要点一：理论计算表明，Fe-O配位引起O-FeN4位轴向的电子局域化，从而增强O2的吸附和活化。
a. 分子结构模型。
b. FeAB-O和FePc/AB的电子局域化函数。
c. FeAB-O和FePc/AB的Bader电荷转移和O2吸附能。
d. FeAB-O和FePc/AB上ORR路径的自由能图。
要点二：将FePc与氧功能化的碳配位，利用同步辐射X射线吸收和穆斯堡尔谱表征FePc与碳的Fe-O配位。
a. 原始FeAB-O，FePc/AB，AB，AB-O和FePc的XRD图谱。
b. FeAB-O和FePc/AB的XPS Fe2p谱。
c. FeAB-O，FePc/AB，Fe和Fe2O3的Fe K-edge X射线近边吸收谱。
d. FeAB–O、FePc/AB和Fe2O3中Fe K edge的扩展X射线吸收精细结构（EXAFS）光谱。
a. 57Fe穆斯堡尔透射光谱。
b. 氧气吸附-脱附试验。
c. 大气中的TGA曲线。
d. FeAB-O和FePc/AB的O2-TPD曲线。
要点三：所得催化剂对O2的吸附和活化动力学较快，Tafel斜率为27.5 mV dec-1，半波电位为0.90 V。
FeAB-O在N2饱和和O2溶解的0.1M KOH溶液中的循环伏安曲线。
b. FeAB-O，FePc/AB，Pt/C在饱和0.1 M KOH中的极化曲线。
c. FeAB–O、FePc/AB和Pt/c在0.88 V下的半波电位和Jk值。
d. FeAB–O、FePc/AB和Pt/C对应的Tafel图。
e. FeAB–O和Pt/C中电子转移数和生成H2O2的比例。
f. FeAB–O和Pt/C的 I–t计时电流响应（O2饱和0.1 M KOH，转速1600 rpm）。
通过在O2等离子体处理的乙炔黑（AB-O）基体上，将FePc分子与含氧基团进行配位设计了一种复合催化剂（FeAB-O），实现了对O2的有效吸附和活化。理论计算表明，轴向O配位（O-FeN4）破坏了Fe的电子分布对称性，导致O上的电子局域化，O-FeN4位点上明显的电子局域化有利于O2的轴向吸附和活化。
X射线吸附实验和O2吸附/解吸实验分别证实了FeAB-O催化剂的轴向O配位和优异的O2吸附能力。ORR性能测试表明，优化后的FeAB–O催化剂具有27.5 mV dec−1的超低Tafel斜率和0.90 V的半波电位，比而无轴向O配位的Fe/AB高30mV，比Pt/C高50 mV。
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萘二甲腈类 [酞菁砌块]
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wyf 01.04
标签：10,20,15,II,苯基,催化剂,FePc,酞菁 来源： https://blog.csdn.net/zhaocaijinbaoya/article/details/112195267