Goddard, William Andrew and Kwon, Soonho and Tao, Cheng (2021) Grand canonical quantum mechanics with applications to mechanism and rates for electrocatalysis. In: 262nd ACS National Meeting & Exposition, 22-26 August 2021, Atlanta, GA. https://resolver.caltech.edu/CaltechAUTHORS:20211214-175234930
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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.
| Item Type: | Conference or Workshop Item (Paper) | ||||||
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| Additional Information: | © 2021 American Chemical Society. | ||||||
| Record Number: | CaltechAUTHORS:20211214-175234930 | ||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20211214-175234930 | ||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 112402 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Tony Diaz | ||||||
| Deposited On: | 14 Dec 2021 17:56 | ||||||
| Last Modified: | 14 Dec 2021 17:56 |
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