CaltechAUTHORS
Published August 2021 | Version public
Conference Paper Metadata-only

Grand canonical quantum mechanics with applications to mechanism and rates for electrocatalysis

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Abstract

We will outline the new Quantum Mechanics based Grand Canonical Potential Kinetics (GCP-K) methodol. with applications to predicting Pourbaix diagrams and turn-over-frequency (TOF) as a function of applied potential and Tafel Slope for electrocatalytic CO₂ redn. to C₂ products, oxygen redn. reaction, and oxygen redn. reaction.

Additional Information

© 2021 American Chemical Society.

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Identifiers

Eprint ID
112402
Resolver ID
CaltechAUTHORS:20211214-175234930

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Describes
https://global-staging.acs.org/events/262nd-acs-national-meeting-exposition/ (URL)

Dates

Created
2021-12-14
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Updated
2021-12-14
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