"The current-voltage characteristics and partial pressure dependence of defect controlled electrochemical reactions on mixed conducting oxides"

Oxygen exchange reaction rates on mixed conducting perovskite electrodes are described as a function of defect concentrations, see The current-voltage characteristics and partial pressure dependence of defect controlled electrochemical reactions on mixed conducting oxides for a detailed description. Here, (exchange) currents, polarization resistances, \(p_{\rm{O_2}}\) dependencies and Tafel-slopes are calculated as function of \(p_{\rm{O_2}}\) and overpotential for different possible reaction mechnisms. The defect concentrations are taken from the model material La_0.6Sr_0.4FeO_3-\(\delta\), and listed in Brouwer_Bias.csv as a function of \(p_{\rm{O_2}}\) and overpotential. Model 7 describes a molecular mechanisms wothout adsorption limitation, model 8 includes adsorption limitation. Likewise Models 10 and 11 describe atomic mechanisms without and with adsorption limitation, respectively. Overpotentials are listed in V, oxygen partial pressures in bar, defect concentrations in defects per unit cell and currents are in arbitrary units as are resistances. Partial pressure and overpotential dependencies (p and n slopes) are given as \(\frac{\partial \ln j}{\partial\ln p_{\rm{O_2}}}\)(unitless) and \(\frac{\partial \ln j}{\partial\eta}\)(/V), and likewise with resistances instead of currents (rp and rn slopes), respectively. The source code for this project is available at: https://github.com/AlexSchmid22191/EIS_R_Sim混合导电钙钛矿电极上的氧交换反应速率以缺陷浓度为函数进行表征，详细说明可参阅《混合导电氧化物上缺陷调控电化学反应的电流-电压特性与分压依赖性》一文。本文针对多种可能的反应机理，计算了（交换）电流、极化电阻、氧气分压（(p_{ m{O_2}})）依赖性以及塔菲尔斜率（Tafel-slopes），上述参数均为(p_{ m{O_2}})与过电位的函数。缺陷浓度取自模型材料镧锶铁氧体（La₀.₆Sr₀.₄FeO₃₋δ），并以(p_{ m{O_2}})与过电位为函数，列于Brouwer_Bias.csv文件中。模型7对应无吸附限制的分子反应机理，模型8则纳入了吸附限制过程。同理，模型10与模型11分别对应无吸附限制与带有吸附限制的原子反应机理。过电位单位为伏特（V），氧气分压单位为巴（bar），缺陷浓度以单位晶胞内的缺陷数计，电流与电阻均采用任意单位。分压与过电位的依赖性（即p斜率与n斜率）分别以(frac{partial ln j}{partialln p_{ m{O_2}}})（无量纲）与(frac{partial ln j}{partialeta})（单位为/V）给出；针对电阻而非电流的依赖性（rp与rn斜率）亦采用类似形式定义。本项目的源代码可于https://github.com/AlexSchmid22191/EIS_R_Sim 获取。