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- W3162105992 abstract "Cyclic Voltammetry~(CV) is an electro-chemical characterization technique used in an initial material screening for desired properties and to extract information about electro-chemical reactions. In some applications, to extract kinetic information of the associated reactions (e.g., rate constants and turn over frequencies), CV curve should have a specific shape (for example an S-shape). However, often the settings to obtain such curve are not known textit{a priori}. In this paper, an active search framework is defined to accelerate identification of settings that enable knowledge extraction from CV experiments.Towards this goal, a function space representation of CV responses is used in combination with Bayesian Model Selection (BMS) method to efficiently label the response to be either textit{S-shape} or not textit{S-shape}. Using an active search with BMS oracle, we report a linear target identification in a 6-dimensional design space (comprising of thermodynamic, mass transfer and solution variables as dimensions). Our framework has the potential to be a powerful virtual screening technique for molecular catalysts, bi-functional fuel cell catalysts etc." @default.
- W3162105992 created "2021-05-24" @default.
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- W3162105992 date "2021-05-12" @default.
- W3162105992 modified "2023-09-26" @default.
- W3162105992 title "Active Knowledge Extraction from Cyclic Voltammetry" @default.
- W3162105992 doi "https://doi.org/10.26434/chemrxiv.14569035.v1" @default.
- W3162105992 hasPublicationYear "2021" @default.
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