Taffit:一个适合Taffit数据的Excel工具

IF 4.6 Q1 CHEMISTRY, ANALYTICAL
Joshua Coduto,  and , Johna Leddy*, 
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引用次数: 0

摘要

塔菲尔分析被广泛用于表征电极动力学。该技术已被用于电化学、催化、材料和腐蚀研究。准确的塔菲尔分析在电催化剂的比较中尤为重要。然而,经典的塔菲尔分析(CTA)依赖于用户对塔菲尔图中线性范围的主观选择;依赖于用户选择范围的线性回归,动力学参数可以按数量级变化。随着文献中CTA使用的增长,需要更可靠的、独立于用户的Tafel分析。本文介绍了在广泛使用的Microsoft Excel中构建的Taffit算法。Taffit根据线性扫描伏安数据生成Tafel图,并通过最接近的统计拟合确定交换电流密度j0、电荷转移系数α和Tafel斜率。比较了Taffit和CTA在玻碳(GC)和铂电极上的析氢反应(HER, 2H+ + 2e + H2)。在没有电阻补偿的情况下,Taffit发现在pH为0的H2条件下,GC和Pt的logj0值分别为- 7.2和- 3.9。这是2010年HER关于GC的第一份报告。由于低过电位区域的算法拟合同时使用了Tafel图的阴极和阳极分支,因此Taffit比CTA具有更高的精度。在金属磷化物和硒化物电催化剂上,CTA报告的HER值与Taffit得到的值也一致。塔菲特算法大大降低了主观性,提高了塔菲特分析的准确性和精密度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Taffit: An Excel Tool for Fitting Tafel Data

Tafel analysis is widely used to characterize electrode kinetics. The technique has found use in electrochemistry, catalysis, materials, and corrosion research. Accurate Tafel analysis is especially critical in comparison of electrocatalysts. However, classical Tafel analysis (CTA) relies on the user’s subjective selection of a linear range in the Tafel plot; dependent on linear regression of the user-selected range, kinetic parameters can vary by orders of magnitude. As use of CTA in the literature grows, a need is identified for more reliable, user-independent Tafel analysis. Here, Taffit, an algorithm constructed in the widely available Microsoft Excel, is presented. Taffit generates a Tafel plot from linear sweep voltammetric data and determines the exchange current density j0, charge transfer coefficient α, and Tafel slopes by closest statistical fit. Comparisons between Taffit and CTA are made for the hydrogen evolution reaction (HER, 2H+ + 2e ⇌ H2) on glassy carbon (GC) and platinum electrodes. Taffit finds log j0 values of −7.2 and −3.9 for GC and Pt under H2 at pH 0, as measured without resistive compensation. This is the first report of j0 for HER on GC. Because algorithmic fitting in the low overpotential region uses both cathodic and anodic branches of the Tafel plot, Taffit has greater precision than CTA. Agreement is also shown between literature values reported by CTA and those obtained by Taffit for HER on metal phosphide and selenide electrocatalysts. The Taffit algorithm substantially reduces subjectivity to improve the accuracy and precision of Tafel analysis.

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来源期刊
ACS Measurement Science Au
ACS Measurement Science Au 化学计量学-
CiteScore
5.20
自引率
0.00%
发文量
0
期刊介绍: ACS Measurement Science Au is an open access journal that publishes experimental computational or theoretical research in all areas of chemical measurement science. Short letters comprehensive articles reviews and perspectives are welcome on topics that report on any phase of analytical operations including sampling measurement and data analysis. This includes:Chemical Reactions and SelectivityChemometrics and Data ProcessingElectrochemistryElemental and Molecular CharacterizationImagingInstrumentationMass SpectrometryMicroscale and Nanoscale systemsOmics (Genomics Proteomics Metabonomics Metabolomics and Bioinformatics)Sensors and Sensing (Biosensors Chemical Sensors Gas Sensors Intracellular Sensors Single-Molecule Sensors Cell Chips Arrays Microfluidic Devices)SeparationsSpectroscopySurface analysisPapers dealing with established methods need to offer a significantly improved original application of the method.
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