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Title: Tafel Fitter v1.5

Software ·
DOI:https://doi.org/10.11578/dc.20190711.1· OSTI ID:1542055 · Code ID:27697
 [1]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

This program a new physical insight regarding efforts to evaluate electrochemical catalysts being developed for electrochemical energy conversion and storage. In particular, we ask: The methodology described here offers a solution to the problem of how to conduct Tafel analysis, which is used in determining electrocatalyst performance, in a quantitative manner, rather than through the qualitative guesswork it currently requires. This enables the measurement of electrocatalyst Tafel slopes and their associated parameters in a way that avoids the introduction of researcher bias, a problem to which current methods of Tafel fitting are prone. This procedure should significantly improve the ability of researchers working in the field of electrochemical energy conversion to rate and compare the catalyst materials being developed, advancing the characterization toolkit available to experimental electrochemists. This work is born out of our general hypothesis that it should be possible to determine the proper regions for unambiguously fitting Tafel data by applying some set of physical constraints that link aspects of a Tafel plot to its corresponding J-V polarization curve. This algorithm applies such constraints and achieves the extraction of Tafel slopes in a wholly quantifiable and reliable fashion. Verification of this approach is achieved by pairing the theory with experiment, as the algorithm was tested using experimentally acquired data of three distinct, electrochemical reactions: platinum hydrogen evolution, iridium-catalyzed oxygen evolution, and platinum-catalyzed dioxygen reduction. For each of these cases, the algorithm predicts the same Tafel slope as those reported in long-established bodies of electrochemical literature, results suggesting the general applicability of this method for determining electrocatalyst Tafel slopes.

Project Type:
Open Source, Publicly Available Repository
Site Accession Number:
2019-128
Software Type:
Scientific
License(s):
BSD 3-clause "New" or "Revised" License
Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE

Primary Award/Contract Number:
AC02-05CH11231
DOE Contract Number:
AC02-05CH11231
Code ID:
27697
OSTI ID:
1542055
Country of Origin:
United States