Data for manuscript - Are we using Tafel slopes properly when deducing reaction mechanisms? HER as an illustrative example.
收藏科学数据银行2025-12-19 更新2026-04-23 收录
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Excel workbook: data used to construct plots within the manuscript, which are also attached below in a word document. Separated into 3 worksheets: Spectroscopic data, Blank Electrochemical data, HER Electrochemical data. Spectroscopic data descriptionColumns A-AB: contains raw integrated intensity vs potential data for the band corresponding to the stretching mode of the Pt-Hopd bond, over 6 separate experiments, which have been separated into forward ((+) scan) and reverse ((-) scan) potential scans. Columns AC-AF are the mean integrated intensities for each scan direction, with corresponding standard deviations. All other columns in this first worksheet contain data processed from that mean integrated intensity data, and from the electrochemical data in worksheet 'HER Electrochemical data'. They are labelled accordingly, and can be observed plotted in the attached word document. Blank Electrochemical data descriptionA selection of blank cyclic voltammetry of the polycrystalline Pt film electrode (between 0.05 V to 1.5 V) with 60 ohm compensation applied. These were recorded at the beginning of the experiments, the end of the experiments, and in-between each spectroscopic experiment in which the potential was scanned into the hydrogen evolution region, to ensure a consistent Pt-electrolyte interface was maintained throughout all experiments, and to remove any hydrogen gas remaining at the interface before each HER spectroscopic experiment. The mean blank CV with its standard deviation are calculated in the last two columns of the worksheet, and are presented in the manuscript SI. HER Electrochemical data description6 sets of voltammetry in which the potential was scanned from 0.1 V to -0.2 V in the HER region, and during which the spectroscopic data in worksheet 'Spectroscopic data' was synchronously recorded. These are split into positive and negative potential scans. The mean and standard deviations calculated from these experiments are also presented, along with their base-10 logarithms, used to construct the Tafel plots presented in the manuscript. Again, 60 ohms compensation was applied throughout. In all worksheets, the column headings not already described correspond to the following:Area and 'I' are equivalent and correspond to the integrated intensity of bands in the IR spectra. I max = maximum integrated intensity of an experimentdI/dE = the potential derivative of the integrated intensityj = current density (i.e., current divided by the geometric electrode area)Log = anything containing this symbol corresponds to a base-10 logarithm of that quantity^(2) means the square of a quantity.cm^(-2) in the columns labelled 'j' means per unit area (in cm squared)Quantities, x, written as IxI corresponds to the absolute value of x.
Excel工作簿:用于构建论文插图的原始数据,相关插图亦附于下文的Word文档中。本工作簿包含3个工作表,分别为「光谱数据(Spectroscopic data)」、「空白电化学数据(Blank Electrochemical data)」与「析氢反应(HER, Hydrogen Evolution Reaction)电化学数据(HER Electrochemical data)」。
光谱数据说明:A列至AB列存储了6组独立实验中,与Pt-Hopd键伸缩振动模式对应的特征峰原始积分强度随电势变化的数据,数据按电势扫描方向分为正向((+)扫描,即正向电势扫描)与反向((-)扫描,即反向电势扫描)两类。AC列至AF列为各扫描方向的平均积分强度及其对应的标准偏差。首个工作表的其余列均基于上述平均积分强度数据与「HER Electrochemical data」工作表中的电化学数据处理得到,列标签已明确标注,其绘图结果可参见附件Word文档。
空白电化学数据说明:本部分为多晶铂薄膜电极在0.05 V至1.5 V电位区间内的空白循环伏安法(Cyclic Voltammetry)测试数据,测试过程中施加了60 Ω电阻补偿。测试分别在实验启动时、实验结束时,以及每一次将电势扫描至析氢区域的光谱实验间隙开展,旨在确保所有实验过程中铂-电解质界面保持稳定一致,并在每次析氢光谱实验前移除界面处残留的氢气。本工作表最后两列计算得到了平均空白循环伏安曲线及其标准偏差,相关内容已刊载于论文的补充材料(Supporting Information,简称SI)中。
析氢反应电化学数据说明:本部分包含6组伏安测试数据,测试时将电势从0.1 V扫描至-0.2 V的析氢反应区域,且同步记录了「Spectroscopic data」工作表中的光谱数据。数据按电势正负扫描方向拆分,同时给出了基于这些实验计算得到的平均值与标准偏差,以及用于构建论文中塔菲尔(Tafel)图的该数据的以10为底的对数值。所有测试全程均施加了60 Ω电阻补偿。
所有工作表中未作详述的列标题含义如下:
1. "Area"与"I"等效,均对应红外光谱中特征峰的积分强度;
2. I_max:单组实验的最大积分强度;
3. dI/dE:积分强度对电势的一阶导数;
4. j:电流密度(即电流除以电极几何面积);
5. Log:包含该标识的物理量,表示其以10为底的对数值;
6. ^(2):表示某物理量的平方;
7. 标注为"j"的列中出现的cm^(-2),表示单位面积(以平方厘米计);
8. 以|x|形式书写的物理量x,表示x的绝对值。
提供机构:
University of Aberdeen
创建时间:
2025-12-19



